----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:11:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.482557987193415 1.433305522184971 4.378547183333329 b -2.482557987193410 1.433305522184971 4.378547183333329 c 0.000000000000002 -2.866611044369946 4.378547183333329 Atomic positions (fractional): *1 O 0.39118412764883 0.10881587235118 0.75000000000000 15.999 2 O 0.10881587235117 0.75000000000000 0.39118412764882 15.999 3 O 0.75000000000000 0.39118412764883 0.10881587235117 15.999 4 O 0.60881587235118 0.89118412764883 0.25000000000000 15.999 5 O 0.89118412764882 0.25000000000000 0.60881587235118 15.999 6 O 0.25000000000000 0.60881587235118 0.89118412764882 15.999 *7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.965115974386825 0.000000000000000 0.000000000000000 b -2.482557987193412 4.299916566554916 0.000000000000000 c 0.000000000000000 0.000000000000000 13.135641550000001 Atomic positions (fractional): *1 O 0.64118412764883 0.00000000000000 0.75000000000000 15.999 > 1 2 O 0.35881587235118 0.35881587235118 0.75000000000000 15.999 > 2 3 O 0.00000000000000 0.64118412764883 0.75000000000000 15.999 > 3 4 O 0.69214920568451 0.66666666666667 0.91666666666667 15.999 > 4 5 O 0.97451746098216 0.30785079431549 0.91666666666667 15.999 > 5 6 O 0.33333333333333 0.02548253901784 0.91666666666667 15.999 > 6 7 O 0.30785079431549 0.33333333333333 0.08333333333333 15.999 > 1 8 O 0.02548253901784 0.69214920568451 0.08333333333333 15.999 > 2 9 O 0.66666666666667 0.97451746098216 0.08333333333333 15.999 > 3 10 O 0.35881587235118 0.00000000000000 0.25000000000000 15.999 > 4 11 O 0.64118412764883 0.64118412764883 0.25000000000000 15.999 > 5 12 O 0.00000000000000 0.35881587235118 0.25000000000000 15.999 > 6 13 O 0.97451746098216 0.66666666666667 0.41666666666667 15.999 > 1 14 O 0.69214920568451 0.02548253901784 0.41666666666667 15.999 > 2 15 O 0.33333333333333 0.30785079431549 0.41666666666667 15.999 > 3 16 O 0.02548253901784 0.33333333333333 0.58333333333333 15.999 > 4 17 O 0.30785079431549 0.97451746098216 0.58333333333333 15.999 > 5 18 O 0.66666666666667 0.69214920568451 0.58333333333333 15.999 > 6 *19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 7 20 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 8 21 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 7 22 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 8 23 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 7 24 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.930231948773651 0.000000000000000 0.000000000000000 b -4.965115974386824 8.599833133109833 0.000000000000000 c 0.000000000000000 0.000000000000000 13.135641550000001 Atomic positions (fractional): *1 O 0.32059206382441 0.00000000000000 0.75000000000000 15.999 > 1 2 O 0.82059206382441 0.00000000000000 0.75000000000000 15.999 > 1 3 O 0.32059206382441 0.50000000000000 0.75000000000000 15.999 > 1 4 O 0.82059206382441 0.50000000000000 0.75000000000000 15.999 > 1 5 O 0.17940793617559 0.17940793617559 0.75000000000000 15.999 > 2 6 O 0.67940793617559 0.17940793617559 0.75000000000000 15.999 > 2 7 O 0.17940793617559 0.67940793617559 0.75000000000000 15.999 > 2 8 O 0.67940793617559 0.67940793617559 0.75000000000000 15.999 > 2 9 O 0.00000000000000 0.32059206382441 0.75000000000000 15.999 > 3 10 O 0.50000000000000 0.32059206382441 0.75000000000000 15.999 > 3 11 O 0.00000000000000 0.82059206382441 0.75000000000000 15.999 > 3 12 O 0.50000000000000 0.82059206382441 0.75000000000000 15.999 > 3 13 O 0.34607460284225 0.33333333333333 0.91666666666667 15.999 > 4 14 O 0.84607460284225 0.33333333333333 0.91666666666667 15.999 > 4 15 O 0.34607460284225 0.83333333333333 0.91666666666667 15.999 > 4 16 O 0.84607460284225 0.83333333333333 0.91666666666667 15.999 > 4 17 O 0.48725873049108 0.15392539715775 0.91666666666667 15.999 > 5 18 O 0.98725873049108 0.15392539715775 0.91666666666667 15.999 > 5 19 O 0.48725873049108 0.65392539715775 0.91666666666667 15.999 > 5 20 O 0.98725873049108 0.65392539715775 0.91666666666667 15.999 > 5 21 O 0.16666666666667 0.01274126950892 0.91666666666667 15.999 > 6 22 O 0.66666666666667 0.01274126950892 0.91666666666667 15.999 > 6 23 O 0.16666666666667 0.51274126950892 0.91666666666667 15.999 > 6 24 O 0.66666666666667 0.51274126950892 0.91666666666667 15.999 > 6 25 O 0.15392539715775 0.16666666666667 0.08333333333333 15.999 > 1 26 O 0.65392539715775 0.16666666666667 0.08333333333333 15.999 > 1 27 O 0.15392539715775 0.66666666666667 0.08333333333333 15.999 > 1 28 O 0.65392539715775 0.66666666666667 0.08333333333333 15.999 > 1 29 O 0.01274126950892 0.34607460284225 0.08333333333333 15.999 > 2 30 O 0.51274126950892 0.34607460284225 0.08333333333333 15.999 > 2 31 O 0.01274126950892 0.84607460284225 0.08333333333333 15.999 > 2 32 O 0.51274126950892 0.84607460284225 0.08333333333333 15.999 > 2 33 O 0.33333333333333 0.48725873049108 0.08333333333333 15.999 > 3 34 O 0.83333333333333 0.48725873049108 0.08333333333333 15.999 > 3 35 O 0.33333333333333 0.98725873049108 0.08333333333333 15.999 > 3 36 O 0.83333333333333 0.98725873049108 0.08333333333333 15.999 > 3 37 O 0.17940793617559 0.00000000000000 0.25000000000000 15.999 > 4 38 O 0.67940793617559 0.00000000000000 0.25000000000000 15.999 > 4 39 O 0.17940793617559 0.50000000000000 0.25000000000000 15.999 > 4 40 O 0.67940793617559 0.50000000000000 0.25000000000000 15.999 > 4 41 O 0.32059206382441 0.32059206382441 0.25000000000000 15.999 > 5 42 O 0.82059206382441 0.32059206382441 0.25000000000000 15.999 > 5 43 O 0.32059206382441 0.82059206382441 0.25000000000000 15.999 > 5 44 O 0.82059206382441 0.82059206382441 0.25000000000000 15.999 > 5 45 O 0.00000000000000 0.17940793617559 0.25000000000000 15.999 > 6 46 O 0.50000000000000 0.17940793617559 0.25000000000000 15.999 > 6 47 O 0.00000000000000 0.67940793617559 0.25000000000000 15.999 > 6 48 O 0.50000000000000 0.67940793617559 0.25000000000000 15.999 > 6 49 O 0.48725873049108 0.33333333333333 0.41666666666667 15.999 > 1 50 O 0.98725873049108 0.33333333333333 0.41666666666667 15.999 > 1 51 O 0.48725873049108 0.83333333333333 0.41666666666667 15.999 > 1 52 O 0.98725873049108 0.83333333333333 0.41666666666667 15.999 > 1 53 O 0.34607460284225 0.01274126950892 0.41666666666667 15.999 > 2 54 O 0.84607460284225 0.01274126950892 0.41666666666667 15.999 > 2 55 O 0.34607460284225 0.51274126950892 0.41666666666667 15.999 > 2 56 O 0.84607460284225 0.51274126950892 0.41666666666667 15.999 > 2 57 O 0.16666666666667 0.15392539715775 0.41666666666667 15.999 > 3 58 O 0.66666666666667 0.15392539715775 0.41666666666667 15.999 > 3 59 O 0.16666666666667 0.65392539715775 0.41666666666667 15.999 > 3 60 O 0.66666666666667 0.65392539715775 0.41666666666667 15.999 > 3 61 O 0.01274126950892 0.16666666666667 0.58333333333333 15.999 > 4 62 O 0.51274126950892 0.16666666666667 0.58333333333333 15.999 > 4 63 O 0.01274126950892 0.66666666666667 0.58333333333333 15.999 > 4 64 O 0.51274126950892 0.66666666666667 0.58333333333333 15.999 > 4 65 O 0.15392539715775 0.48725873049108 0.58333333333333 15.999 > 5 66 O 0.65392539715775 0.48725873049108 0.58333333333333 15.999 > 5 67 O 0.15392539715775 0.98725873049108 0.58333333333333 15.999 > 5 68 O 0.65392539715775 0.98725873049108 0.58333333333333 15.999 > 5 69 O 0.33333333333333 0.34607460284225 0.58333333333333 15.999 > 6 70 O 0.83333333333333 0.34607460284225 0.58333333333333 15.999 > 6 71 O 0.33333333333333 0.84607460284225 0.58333333333333 15.999 > 6 72 O 0.83333333333333 0.84607460284225 0.58333333333333 15.999 > 6 *73 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 7 74 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 7 75 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 7 76 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 7 77 Te 0.33333333333333 0.16666666666667 0.83333333333333 127.600 > 8 78 Te 0.83333333333333 0.16666666666667 0.83333333333333 127.600 > 8 79 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 8 80 Te 0.83333333333333 0.66666666666667 0.83333333333333 127.600 > 8 81 Te 0.33333333333333 0.16666666666667 0.33333333333333 127.600 > 7 82 Te 0.83333333333333 0.16666666666667 0.33333333333333 127.600 > 7 83 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 7 84 Te 0.83333333333333 0.66666666666667 0.33333333333333 127.600 > 7 85 Te 0.16666666666667 0.33333333333333 0.16666666666667 127.600 > 8 86 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 8 87 Te 0.16666666666667 0.83333333333333 0.16666666666667 127.600 > 8 88 Te 0.66666666666667 0.83333333333333 0.16666666666667 127.600 > 8 89 Te 0.16666666666667 0.33333333333333 0.66666666666667 127.600 > 7 90 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 7 91 Te 0.16666666666667 0.83333333333333 0.66666666666667 127.600 > 7 92 Te 0.66666666666667 0.83333333333333 0.66666666666667 127.600 > 7 93 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 8 94 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 8 95 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 8 96 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0044908 0.0000000 0.0000000 0.0000000 5.0044908 0.0000000 0.0000000 0.0000000 5.8891164 -------------------------- Born effective charges -------------------------- 1 O -1.3195566 0.0000000 0.0000000 0.0000000 -2.4296154 -1.0184708 -0.0000000 -1.1079785 -2.0788962 2 O -2.1521007 0.4806696 -0.8820216 0.4806696 -1.5970713 0.5092354 -0.9595376 0.5539893 -2.0788962 3 O -2.1521007 -0.4806696 0.8820216 -0.4806696 -1.5970713 0.5092354 0.9595376 0.5539893 -2.0788962 4 O -1.3195566 0.0000000 0.0000000 0.0000000 -2.4296154 -1.0184708 -0.0000000 -1.1079785 -2.0788962 5 O -2.1521007 0.4806696 -0.8820216 0.4806696 -1.5970713 0.5092354 -0.9595376 0.5539893 -2.0788962 6 O -2.1521007 -0.4806696 0.8820216 -0.4806696 -1.5970713 0.5092354 0.9595376 0.5539893 -2.0788962 7 Te 5.6237579 -1.9541053 0.0000000 1.9541053 5.6237579 0.0000000 -0.0000000 -0.0000000 6.2366887 8 Te 5.6237579 1.9541053 0.0000000 -1.9541053 5.6237579 0.0000000 -0.0000000 -0.0000000 6.2366887 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 168 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 80 / 80 - Time: 0.217 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.227 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 168 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:11:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:11:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.482557987193415 1.433305522184971 4.378547183333329 b -2.482557987193410 1.433305522184971 4.378547183333329 c 0.000000000000002 -2.866611044369946 4.378547183333329 Atomic positions (fractional): 1 O 0.39118412764883 0.10881587235118 0.75000000000000 15.999 2 O 0.10881587235117 0.75000000000000 0.39118412764882 15.999 3 O 0.75000000000000 0.39118412764883 0.10881587235117 15.999 4 O 0.60881587235118 0.89118412764883 0.25000000000000 15.999 5 O 0.89118412764882 0.25000000000000 0.60881587235118 15.999 6 O 0.25000000000000 0.60881587235118 0.89118412764882 15.999 7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.930231948773651 0.000000000000000 0.000000000000000 b -4.965115974386824 8.599833133109833 0.000000000000000 c 0.000000000000000 0.000000000000000 13.135641550000001 Atomic positions (fractional): 1 O 0.32059206382441 0.00000000000000 0.75000000000000 15.999 > 1 2 O 0.82059206382441 0.00000000000000 0.75000000000000 15.999 > 1 3 O 0.32059206382441 0.50000000000000 0.75000000000000 15.999 > 1 4 O 0.82059206382441 0.50000000000000 0.75000000000000 15.999 > 1 5 O 0.17940793617559 0.17940793617559 0.75000000000000 15.999 > 5 6 O 0.67940793617559 0.17940793617559 0.75000000000000 15.999 > 5 7 O 0.17940793617559 0.67940793617559 0.75000000000000 15.999 > 5 8 O 0.67940793617559 0.67940793617559 0.75000000000000 15.999 > 5 9 O 0.00000000000000 0.32059206382441 0.75000000000000 15.999 > 9 10 O 0.50000000000000 0.32059206382441 0.75000000000000 15.999 > 9 11 O 0.00000000000000 0.82059206382441 0.75000000000000 15.999 > 9 12 O 0.50000000000000 0.82059206382441 0.75000000000000 15.999 > 9 13 O 0.34607460284225 0.33333333333333 0.91666666666667 15.999 > 13 14 O 0.84607460284225 0.33333333333333 0.91666666666667 15.999 > 13 15 O 0.34607460284225 0.83333333333333 0.91666666666667 15.999 > 13 16 O 0.84607460284225 0.83333333333333 0.91666666666667 15.999 > 13 17 O 0.48725873049108 0.15392539715775 0.91666666666667 15.999 > 17 18 O 0.98725873049108 0.15392539715775 0.91666666666667 15.999 > 17 19 O 0.48725873049108 0.65392539715775 0.91666666666667 15.999 > 17 20 O 0.98725873049108 0.65392539715775 0.91666666666667 15.999 > 17 21 O 0.16666666666667 0.01274126950892 0.91666666666667 15.999 > 21 22 O 0.66666666666667 0.01274126950892 0.91666666666667 15.999 > 21 23 O 0.16666666666667 0.51274126950892 0.91666666666667 15.999 > 21 24 O 0.66666666666667 0.51274126950892 0.91666666666667 15.999 > 21 25 O 0.15392539715775 0.16666666666667 0.08333333333333 15.999 > 1 26 O 0.65392539715775 0.16666666666667 0.08333333333333 15.999 > 1 27 O 0.15392539715775 0.66666666666667 0.08333333333333 15.999 > 1 28 O 0.65392539715775 0.66666666666667 0.08333333333333 15.999 > 1 29 O 0.01274126950892 0.34607460284225 0.08333333333333 15.999 > 5 30 O 0.51274126950892 0.34607460284225 0.08333333333333 15.999 > 5 31 O 0.01274126950892 0.84607460284225 0.08333333333333 15.999 > 5 32 O 0.51274126950892 0.84607460284225 0.08333333333333 15.999 > 5 33 O 0.33333333333333 0.48725873049108 0.08333333333333 15.999 > 9 34 O 0.83333333333333 0.48725873049108 0.08333333333333 15.999 > 9 35 O 0.33333333333333 0.98725873049108 0.08333333333333 15.999 > 9 36 O 0.83333333333333 0.98725873049108 0.08333333333333 15.999 > 9 37 O 0.17940793617559 0.00000000000000 0.25000000000000 15.999 > 13 38 O 0.67940793617559 0.00000000000000 0.25000000000000 15.999 > 13 39 O 0.17940793617559 0.50000000000000 0.25000000000000 15.999 > 13 40 O 0.67940793617559 0.50000000000000 0.25000000000000 15.999 > 13 41 O 0.32059206382441 0.32059206382441 0.25000000000000 15.999 > 17 42 O 0.82059206382441 0.32059206382441 0.25000000000000 15.999 > 17 43 O 0.32059206382441 0.82059206382441 0.25000000000000 15.999 > 17 44 O 0.82059206382441 0.82059206382441 0.25000000000000 15.999 > 17 45 O 0.00000000000000 0.17940793617559 0.25000000000000 15.999 > 21 46 O 0.50000000000000 0.17940793617559 0.25000000000000 15.999 > 21 47 O 0.00000000000000 0.67940793617559 0.25000000000000 15.999 > 21 48 O 0.50000000000000 0.67940793617559 0.25000000000000 15.999 > 21 49 O 0.48725873049108 0.33333333333333 0.41666666666667 15.999 > 1 50 O 0.98725873049108 0.33333333333333 0.41666666666667 15.999 > 1 51 O 0.48725873049108 0.83333333333333 0.41666666666667 15.999 > 1 52 O 0.98725873049108 0.83333333333333 0.41666666666667 15.999 > 1 53 O 0.34607460284225 0.01274126950892 0.41666666666667 15.999 > 5 54 O 0.84607460284225 0.01274126950892 0.41666666666667 15.999 > 5 55 O 0.34607460284225 0.51274126950892 0.41666666666667 15.999 > 5 56 O 0.84607460284225 0.51274126950892 0.41666666666667 15.999 > 5 57 O 0.16666666666667 0.15392539715775 0.41666666666667 15.999 > 9 58 O 0.66666666666667 0.15392539715775 0.41666666666667 15.999 > 9 59 O 0.16666666666667 0.65392539715775 0.41666666666667 15.999 > 9 60 O 0.66666666666667 0.65392539715775 0.41666666666667 15.999 > 9 61 O 0.01274126950892 0.16666666666667 0.58333333333333 15.999 > 13 62 O 0.51274126950892 0.16666666666667 0.58333333333333 15.999 > 13 63 O 0.01274126950892 0.66666666666667 0.58333333333333 15.999 > 13 64 O 0.51274126950892 0.66666666666667 0.58333333333333 15.999 > 13 65 O 0.15392539715775 0.48725873049108 0.58333333333333 15.999 > 17 66 O 0.65392539715775 0.48725873049108 0.58333333333333 15.999 > 17 67 O 0.15392539715775 0.98725873049108 0.58333333333333 15.999 > 17 68 O 0.65392539715775 0.98725873049108 0.58333333333333 15.999 > 17 69 O 0.33333333333333 0.34607460284225 0.58333333333333 15.999 > 21 70 O 0.83333333333333 0.34607460284225 0.58333333333333 15.999 > 21 71 O 0.33333333333333 0.84607460284225 0.58333333333333 15.999 > 21 72 O 0.83333333333333 0.84607460284225 0.58333333333333 15.999 > 21 73 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 73 74 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 73 75 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 73 76 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 73 77 Te 0.33333333333333 0.16666666666667 0.83333333333333 127.600 > 77 78 Te 0.83333333333333 0.16666666666667 0.83333333333333 127.600 > 77 79 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 77 80 Te 0.83333333333333 0.66666666666667 0.83333333333333 127.600 > 77 81 Te 0.33333333333333 0.16666666666667 0.33333333333333 127.600 > 73 82 Te 0.83333333333333 0.16666666666667 0.33333333333333 127.600 > 73 83 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 73 84 Te 0.83333333333333 0.66666666666667 0.33333333333333 127.600 > 73 85 Te 0.16666666666667 0.33333333333333 0.16666666666667 127.600 > 77 86 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 77 87 Te 0.16666666666667 0.83333333333333 0.16666666666667 127.600 > 77 88 Te 0.66666666666667 0.83333333333333 0.16666666666667 127.600 > 77 89 Te 0.16666666666667 0.33333333333333 0.66666666666667 127.600 > 73 90 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 73 91 Te 0.16666666666667 0.83333333333333 0.66666666666667 127.600 > 73 92 Te 0.66666666666667 0.83333333333333 0.66666666666667 127.600 > 73 93 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 77 94 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 77 95 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 77 96 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0044908 0.0000000 0.0000000 0.0000000 5.0044908 0.0000000 0.0000000 0.0000000 5.8891164 -------------------------- Born effective charges -------------------------- 1 O -1.3195566 0.0000000 0.0000000 0.0000000 -2.4296154 -1.0184708 -0.0000000 -1.1079785 -2.0788962 2 O -2.1521007 0.4806696 -0.8820216 0.4806696 -1.5970713 0.5092354 -0.9595376 0.5539893 -2.0788962 3 O -2.1521007 -0.4806696 0.8820216 -0.4806696 -1.5970713 0.5092354 0.9595376 0.5539893 -2.0788962 4 O -1.3195566 0.0000000 0.0000000 0.0000000 -2.4296154 -1.0184708 -0.0000000 -1.1079785 -2.0788962 5 O -2.1521007 0.4806696 -0.8820216 0.4806696 -1.5970713 0.5092354 -0.9595376 0.5539893 -2.0788962 6 O -2.1521007 -0.4806696 0.8820216 -0.4806696 -1.5970713 0.5092354 0.9595376 0.5539893 -2.0788962 7 Te 5.6237579 -1.9541053 0.0000000 1.9541053 5.6237579 0.0000000 -0.0000000 -0.0000000 6.2366887 8 Te 5.6237579 1.9541053 0.0000000 -1.9541053 5.6237579 0.0000000 -0.0000000 -0.0000000 6.2366887 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (yxz) -0.00000006 (yxz) -0.00000006 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000034 (xy) 0.00000034 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:11:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:11:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.482557987193415 1.433305522184971 4.378547183333329 b -2.482557987193410 1.433305522184971 4.378547183333329 c 0.000000000000002 -2.866611044369946 4.378547183333329 Atomic positions (fractional): 1 O 0.39118412764883 0.10881587235118 0.75000000000000 15.999 2 O 0.10881587235117 0.75000000000000 0.39118412764882 15.999 3 O 0.75000000000000 0.39118412764883 0.10881587235117 15.999 4 O 0.60881587235118 0.89118412764883 0.25000000000000 15.999 5 O 0.89118412764882 0.25000000000000 0.60881587235118 15.999 6 O 0.25000000000000 0.60881587235118 0.89118412764882 15.999 7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.930231948773651 0.000000000000000 0.000000000000000 b -4.965115974386824 8.599833133109833 0.000000000000000 c 0.000000000000000 0.000000000000000 13.135641550000001 Atomic positions (fractional): 1 O 0.32059206382441 0.00000000000000 0.75000000000000 15.999 > 1 2 O 0.82059206382441 0.00000000000000 0.75000000000000 15.999 > 1 3 O 0.32059206382441 0.50000000000000 0.75000000000000 15.999 > 1 4 O 0.82059206382441 0.50000000000000 0.75000000000000 15.999 > 1 5 O 0.17940793617559 0.17940793617559 0.75000000000000 15.999 > 5 6 O 0.67940793617559 0.17940793617559 0.75000000000000 15.999 > 5 7 O 0.17940793617559 0.67940793617559 0.75000000000000 15.999 > 5 8 O 0.67940793617559 0.67940793617559 0.75000000000000 15.999 > 5 9 O 0.00000000000000 0.32059206382441 0.75000000000000 15.999 > 9 10 O 0.50000000000000 0.32059206382441 0.75000000000000 15.999 > 9 11 O 0.00000000000000 0.82059206382441 0.75000000000000 15.999 > 9 12 O 0.50000000000000 0.82059206382441 0.75000000000000 15.999 > 9 13 O 0.34607460284225 0.33333333333333 0.91666666666667 15.999 > 13 14 O 0.84607460284225 0.33333333333333 0.91666666666667 15.999 > 13 15 O 0.34607460284225 0.83333333333333 0.91666666666667 15.999 > 13 16 O 0.84607460284225 0.83333333333333 0.91666666666667 15.999 > 13 17 O 0.48725873049108 0.15392539715775 0.91666666666667 15.999 > 17 18 O 0.98725873049108 0.15392539715775 0.91666666666667 15.999 > 17 19 O 0.48725873049108 0.65392539715775 0.91666666666667 15.999 > 17 20 O 0.98725873049108 0.65392539715775 0.91666666666667 15.999 > 17 21 O 0.16666666666667 0.01274126950892 0.91666666666667 15.999 > 21 22 O 0.66666666666667 0.01274126950892 0.91666666666667 15.999 > 21 23 O 0.16666666666667 0.51274126950892 0.91666666666667 15.999 > 21 24 O 0.66666666666667 0.51274126950892 0.91666666666667 15.999 > 21 25 O 0.15392539715775 0.16666666666667 0.08333333333333 15.999 > 1 26 O 0.65392539715775 0.16666666666667 0.08333333333333 15.999 > 1 27 O 0.15392539715775 0.66666666666667 0.08333333333333 15.999 > 1 28 O 0.65392539715775 0.66666666666667 0.08333333333333 15.999 > 1 29 O 0.01274126950892 0.34607460284225 0.08333333333333 15.999 > 5 30 O 0.51274126950892 0.34607460284225 0.08333333333333 15.999 > 5 31 O 0.01274126950892 0.84607460284225 0.08333333333333 15.999 > 5 32 O 0.51274126950892 0.84607460284225 0.08333333333333 15.999 > 5 33 O 0.33333333333333 0.48725873049108 0.08333333333333 15.999 > 9 34 O 0.83333333333333 0.48725873049108 0.08333333333333 15.999 > 9 35 O 0.33333333333333 0.98725873049108 0.08333333333333 15.999 > 9 36 O 0.83333333333333 0.98725873049108 0.08333333333333 15.999 > 9 37 O 0.17940793617559 0.00000000000000 0.25000000000000 15.999 > 13 38 O 0.67940793617559 0.00000000000000 0.25000000000000 15.999 > 13 39 O 0.17940793617559 0.50000000000000 0.25000000000000 15.999 > 13 40 O 0.67940793617559 0.50000000000000 0.25000000000000 15.999 > 13 41 O 0.32059206382441 0.32059206382441 0.25000000000000 15.999 > 17 42 O 0.82059206382441 0.32059206382441 0.25000000000000 15.999 > 17 43 O 0.32059206382441 0.82059206382441 0.25000000000000 15.999 > 17 44 O 0.82059206382441 0.82059206382441 0.25000000000000 15.999 > 17 45 O 0.00000000000000 0.17940793617559 0.25000000000000 15.999 > 21 46 O 0.50000000000000 0.17940793617559 0.25000000000000 15.999 > 21 47 O 0.00000000000000 0.67940793617559 0.25000000000000 15.999 > 21 48 O 0.50000000000000 0.67940793617559 0.25000000000000 15.999 > 21 49 O 0.48725873049108 0.33333333333333 0.41666666666667 15.999 > 1 50 O 0.98725873049108 0.33333333333333 0.41666666666667 15.999 > 1 51 O 0.48725873049108 0.83333333333333 0.41666666666667 15.999 > 1 52 O 0.98725873049108 0.83333333333333 0.41666666666667 15.999 > 1 53 O 0.34607460284225 0.01274126950892 0.41666666666667 15.999 > 5 54 O 0.84607460284225 0.01274126950892 0.41666666666667 15.999 > 5 55 O 0.34607460284225 0.51274126950892 0.41666666666667 15.999 > 5 56 O 0.84607460284225 0.51274126950892 0.41666666666667 15.999 > 5 57 O 0.16666666666667 0.15392539715775 0.41666666666667 15.999 > 9 58 O 0.66666666666667 0.15392539715775 0.41666666666667 15.999 > 9 59 O 0.16666666666667 0.65392539715775 0.41666666666667 15.999 > 9 60 O 0.66666666666667 0.65392539715775 0.41666666666667 15.999 > 9 61 O 0.01274126950892 0.16666666666667 0.58333333333333 15.999 > 13 62 O 0.51274126950892 0.16666666666667 0.58333333333333 15.999 > 13 63 O 0.01274126950892 0.66666666666667 0.58333333333333 15.999 > 13 64 O 0.51274126950892 0.66666666666667 0.58333333333333 15.999 > 13 65 O 0.15392539715775 0.48725873049108 0.58333333333333 15.999 > 17 66 O 0.65392539715775 0.48725873049108 0.58333333333333 15.999 > 17 67 O 0.15392539715775 0.98725873049108 0.58333333333333 15.999 > 17 68 O 0.65392539715775 0.98725873049108 0.58333333333333 15.999 > 17 69 O 0.33333333333333 0.34607460284225 0.58333333333333 15.999 > 21 70 O 0.83333333333333 0.34607460284225 0.58333333333333 15.999 > 21 71 O 0.33333333333333 0.84607460284225 0.58333333333333 15.999 > 21 72 O 0.83333333333333 0.84607460284225 0.58333333333333 15.999 > 21 73 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 73 74 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 73 75 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 73 76 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 73 77 Te 0.33333333333333 0.16666666666667 0.83333333333333 127.600 > 77 78 Te 0.83333333333333 0.16666666666667 0.83333333333333 127.600 > 77 79 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 77 80 Te 0.83333333333333 0.66666666666667 0.83333333333333 127.600 > 77 81 Te 0.33333333333333 0.16666666666667 0.33333333333333 127.600 > 73 82 Te 0.83333333333333 0.16666666666667 0.33333333333333 127.600 > 73 83 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 73 84 Te 0.83333333333333 0.66666666666667 0.33333333333333 127.600 > 73 85 Te 0.16666666666667 0.33333333333333 0.16666666666667 127.600 > 77 86 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 77 87 Te 0.16666666666667 0.83333333333333 0.16666666666667 127.600 > 77 88 Te 0.66666666666667 0.83333333333333 0.16666666666667 127.600 > 77 89 Te 0.16666666666667 0.33333333333333 0.66666666666667 127.600 > 73 90 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 73 91 Te 0.16666666666667 0.83333333333333 0.66666666666667 127.600 > 73 92 Te 0.66666666666667 0.83333333333333 0.66666666666667 127.600 > 73 93 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 77 94 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 77 95 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 77 96 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0044908 0.0000000 0.0000000 0.0000000 5.0044908 0.0000000 0.0000000 0.0000000 5.8891164 -------------------------- Born effective charges -------------------------- 1 O -1.3195566 0.0000000 0.0000000 0.0000000 -2.4296154 -1.0184708 -0.0000000 -1.1079785 -2.0788962 2 O -2.1521007 0.4806696 -0.8820216 0.4806696 -1.5970713 0.5092354 -0.9595376 0.5539893 -2.0788962 3 O -2.1521007 -0.4806696 0.8820216 -0.4806696 -1.5970713 0.5092354 0.9595376 0.5539893 -2.0788962 4 O -1.3195566 0.0000000 0.0000000 0.0000000 -2.4296154 -1.0184708 -0.0000000 -1.1079785 -2.0788962 5 O -2.1521007 0.4806696 -0.8820216 0.4806696 -1.5970713 0.5092354 -0.9595376 0.5539893 -2.0788962 6 O -2.1521007 -0.4806696 0.8820216 -0.4806696 -1.5970713 0.5092354 0.9595376 0.5539893 -2.0788962 7 Te 5.6237579 -1.9541053 0.0000000 1.9541053 5.6237579 0.0000000 -0.0000000 -0.0000000 6.2366887 8 Te 5.6237579 1.9541053 0.0000000 -1.9541053 5.6237579 0.0000000 -0.0000000 -0.0000000 6.2366887 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (yxz) -0.00000006 (yxz) -0.00000006 (yzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.92, Number of G-points: 297, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 20.580 ( 0.000 0.000 0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 23.911 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 53.244 30.740 -36.361) 71.428 1.025 ( 34.432 19.880 39.261) 55.877 1.106 ( 34.692 20.029 49.357) 63.568 5.921 ( -2.638 -1.523 -0.993) 3.204 6.264 ( 3.698 2.135 -22.570) 22.971 7.009 ( -10.663 -6.156 41.167) 42.969 7.289 ( 0.671 0.388 -12.084) 12.109 7.454 ( 12.544 7.242 -3.354) 14.868 7.470 ( -3.720 -2.148 9.557) 10.478 8.547 ( -17.966 -10.372 17.145) 26.913 8.998 ( -3.021 -1.744 -2.063) 4.053 9.963 ( 10.409 6.010 6.362) 13.599 11.106 ( -3.687 -2.129 -3.224) 5.340 12.584 ( -4.341 -2.507 -1.939) 5.375 12.680 ( -0.803 -0.464 2.960) 3.102 13.556 ( -2.072 -1.196 -1.145) 2.653 13.621 ( 2.891 1.669 1.132) 3.526 14.202 ( 14.307 8.260 -49.106) 51.811 18.699 ( 4.381 2.529 -0.763) 5.116 18.702 ( 2.826 1.632 5.966) 6.800 20.686 ( -12.775 -7.376 36.043) 38.945 21.685 ( -3.504 -2.023 -2.144) 4.579 23.922 ( 0.961 0.555 0.142) 1.119 24.604 ( 1.167 0.674 -9.004) 9.104 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 51.934 29.984 -34.532) 69.200 2.032 ( 33.326 19.241 38.565) 54.480 2.163 ( 32.059 18.509 46.999) 59.827 5.852 ( -2.344 -1.354 -1.484) 3.087 6.204 ( -0.611 -0.353 -5.716) 5.760 7.062 ( -3.423 -1.976 23.911) 24.235 7.154 ( -6.507 -3.757 -9.686) 12.258 7.433 ( -4.382 -2.530 3.507) 6.157 7.778 ( 18.057 10.425 -5.000) 21.442 8.212 ( -17.199 -9.930 6.403) 20.866 8.897 ( -4.172 -2.409 -3.081) 5.718 10.274 ( 12.658 7.308 6.770) 16.108 10.957 ( -6.925 -3.998 -5.677) 9.807 12.431 ( -7.207 -4.161 -4.650) 9.533 12.684 ( -1.502 -0.867 6.217) 6.454 13.478 ( -3.886 -2.243 -2.342) 5.061 13.714 ( 4.113 2.375 2.335) 5.293 14.212 ( 7.506 4.334 -24.708) 26.184 18.834 ( 8.291 4.787 -1.785) 9.739 18.853 ( 5.776 3.335 11.145) 12.988 20.602 ( -9.592 -5.538 16.680) 20.023 21.549 ( -6.784 -3.917 -4.416) 8.993 23.954 ( 1.759 1.015 0.133) 2.035 24.558 ( -1.338 -0.773 -4.686) 4.934 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 49.417 28.531 -31.539) 65.198 2.995 ( 31.012 17.905 36.770) 51.326 3.124 ( 28.092 16.219 42.966) 53.836 5.812 ( -0.346 -0.200 -1.246) 1.309 6.172 ( -1.299 -0.750 2.038) 2.530 6.889 ( -12.953 -7.479 -4.093) 15.507 7.121 ( -2.690 -1.553 10.466) 10.917 7.278 ( -9.008 -5.201 -6.170) 12.094 7.890 ( -10.165 -5.869 2.094) 11.923 8.205 ( 18.213 10.515 3.303) 21.288 8.785 ( -3.812 -2.201 -3.772) 5.797 10.593 ( 12.000 6.928 5.811) 15.026 10.728 ( -9.822 -5.671 -7.291) 13.482 12.214 ( -8.967 -5.177 -5.761) 11.849 12.692 ( -1.460 -0.843 7.299) 7.491 13.355 ( -5.265 -3.040 -3.606) 7.068 13.826 ( 3.984 2.300 3.979) 6.083 14.221 ( 4.937 2.850 -16.763) 17.706 19.039 ( 11.263 6.503 -3.110) 13.372 19.099 ( 8.729 5.039 14.904) 17.992 20.471 ( -9.708 -5.605 10.371) 15.271 21.328 ( -9.667 -5.581 -6.916) 13.131 24.001 ( 2.359 1.362 -0.024) 2.724 24.487 ( -2.794 -1.613 -3.130) 4.495 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 45.005 25.983 -26.887) 58.510 3.867 ( 26.656 15.390 32.674) 44.889 3.956 ( 23.571 13.609 36.292) 45.364 5.811 ( -0.129 -0.075 0.210) 0.258 6.162 ( -1.840 -1.062 5.185) 5.603 6.536 ( -16.849 -9.728 -0.025) 19.456 6.964 ( -12.946 -7.475 -12.737) 19.640 6.992 ( -9.782 -5.648 -7.349) 13.476 7.829 ( -0.268 -0.155 16.708) 16.711 8.662 ( 20.544 11.861 2.297) 23.833 8.667 ( -4.356 -2.515 -6.194) 7.980 10.426 ( -12.807 -7.394 -8.160) 16.890 10.884 ( 11.007 6.355 5.146) 13.712 11.963 ( -10.031 -5.791 -5.886) 12.992 12.717 ( -0.227 -0.131 7.239) 7.244 13.202 ( -5.918 -3.417 -4.789) 8.344 13.939 ( 3.184 1.838 5.983) 7.022 14.216 ( 3.024 1.746 -13.104) 13.561 19.289 ( 12.962 7.484 -4.538) 15.641 19.425 ( 11.080 6.397 16.844) 21.152 20.303 ( -10.276 -5.933 7.759) 14.177 21.032 ( -11.984 -6.919 -9.633) 16.861 24.059 ( 2.857 1.650 -0.151) 3.303 24.397 ( -3.654 -2.110 -2.094) 4.711 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.481 ( 31.775 18.345 -11.431) 38.430 4.558 ( 17.759 10.253 22.879) 30.724 4.641 ( 24.011 13.863 15.326) 31.680 5.724 ( -13.153 -7.594 6.765) 16.626 6.146 ( -2.494 -1.440 4.821) 5.616 6.206 ( -9.225 -5.326 -1.097) 10.709 6.595 ( -10.688 -6.171 -13.413) 18.227 6.669 ( -11.655 -6.729 -11.182) 17.497 8.018 ( 5.600 3.233 18.735) 19.819 8.500 ( -5.920 -3.418 -10.485) 12.517 9.143 ( 20.321 11.732 4.303) 23.856 10.052 ( -15.944 -9.205 -8.020) 20.082 11.156 ( 10.561 6.098 5.053) 13.201 11.696 ( -10.515 -6.071 -5.618) 13.379 12.780 ( 1.908 1.102 6.858) 7.204 13.038 ( -5.541 -3.199 -5.726) 8.587 14.042 ( 2.028 1.171 7.952) 8.290 14.187 ( 1.167 0.674 -11.124) 11.206 19.552 ( 13.265 7.659 -5.861) 16.400 19.777 ( 8.941 5.162 16.080) 19.109 20.132 ( -7.391 -4.267 7.486) 11.353 20.676 ( -13.415 -7.745 -12.297) 19.778 24.127 ( 3.345 1.931 -0.029) 3.863 24.301 ( -3.946 -2.278 -1.194) 4.711 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.840 ( 2.201 1.271 -2.105) 3.300 4.840 ( -2.201 -1.271 2.105) 3.300 5.272 ( -29.678 -17.135 11.249) 36.069 5.272 ( 29.678 17.135 -11.249) 36.069 6.127 ( 0.953 0.550 -3.778) 3.935 6.127 ( -0.953 -0.550 3.778) 3.935 6.439 ( -2.867 -1.655 0.248) 3.320 6.439 ( 2.867 1.655 -0.248) 3.320 8.272 ( -6.846 -3.952 -15.281) 17.205 8.272 ( 6.846 3.952 15.281) 17.205 9.616 ( -18.670 -10.779 -6.596) 22.545 9.616 ( 18.670 10.779 6.596) 22.545 11.425 ( -10.568 -6.101 -5.294) 13.302 11.425 ( 10.568 6.101 5.294) 13.302 12.890 ( -4.089 -2.361 -6.386) 7.941 12.890 ( 4.089 2.361 6.386) 7.941 14.127 ( -0.567 -0.327 -9.621) 9.643 14.127 ( 0.567 0.327 9.621) 9.643 19.792 ( -11.209 -6.471 7.652) 15.036 19.792 ( 11.209 6.471 -7.652) 15.036 20.294 ( -12.420 -7.171 -13.773) 19.884 20.294 ( 12.420 7.171 13.773) 19.884 24.208 ( -3.773 -2.178 -0.442) 4.379 24.208 ( 3.773 2.178 0.442) 4.379 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 20.274 19.275) 27.974 0.689 ( -0.000 25.306 14.384) 29.108 1.844 ( 0.000 59.666 51.169) 78.602 5.973 ( 0.000 -0.874 4.624) 4.706 6.165 ( -0.000 11.010 -16.629) 19.943 7.163 ( 0.000 -25.807 32.907) 41.820 7.240 ( -0.000 0.451 -12.262) 12.271 7.306 ( -0.000 8.635 -12.671) 15.334 7.538 ( 0.000 -3.095 11.279) 11.695 8.769 ( 0.000 -25.200 22.710) 33.923 8.978 ( -0.000 -3.309 -4.135) 5.296 10.031 ( 0.000 9.506 14.183) 17.074 11.075 ( -0.000 -4.171 -6.384) 7.626 12.547 ( 0.000 -6.800 -4.049) 7.914 12.706 ( 0.000 0.507 3.897) 3.930 13.551 ( -0.000 0.740 -4.494) 4.555 13.595 ( -0.000 2.225 -1.660) 2.776 13.913 ( -0.000 37.595 -47.888) 60.882 18.659 ( 0.000 -0.402 1.795) 1.839 18.783 ( 0.000 8.087 8.010) 11.383 20.968 ( 0.000 -26.537 39.603) 47.672 21.688 ( 0.000 -3.120 -1.828) 3.616 23.922 ( -0.000 0.902 0.150) 0.915 24.486 ( -0.000 2.648 -14.466) 14.706 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 36.623 34.028 -17.849) 53.082 1.472 ( 41.556 0.286 37.075) 55.691 2.772 ( 4.955 55.591 48.152) 73.712 5.916 ( -6.668 0.320 2.655) 7.184 6.206 ( 1.459 5.219 -4.634) 7.130 7.065 ( -1.195 -9.766 1.618) 9.971 7.216 ( 0.145 -10.880 12.049) 16.235 7.348 ( 5.089 -1.533 -13.880) 14.863 7.615 ( 6.464 4.174 4.038) 8.690 8.513 ( -16.948 -10.143 11.730) 22.972 8.896 ( -2.026 -3.309 -4.846) 6.208 10.266 ( 5.711 10.050 11.906) 16.594 10.949 ( -3.316 -5.900 -8.746) 11.059 12.421 ( -2.785 -8.456 -4.904) 10.164 12.735 ( -0.766 -0.180 6.032) 6.083 13.520 ( -3.599 -1.382 -1.520) 4.144 13.647 ( 5.683 2.944 -1.592) 6.596 14.035 ( 5.357 20.487 -26.984) 34.301 18.713 ( 5.313 -0.521 2.427) 5.864 18.959 ( 2.090 11.634 11.225) 16.301 20.849 ( -11.448 -12.511 23.824) 29.243 21.588 ( -5.307 -3.739 -3.964) 7.607 23.941 ( 1.012 0.978 -0.109) 1.411 24.455 ( 4.297 -3.180 -10.537) 11.815 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 44.620 32.764 -24.989) 60.736 2.419 ( 45.097 -6.723 38.886) 59.926 3.665 ( 5.449 49.509 43.148) 65.898 5.839 ( -3.882 0.462 1.462) 4.174 6.244 ( -1.812 3.939 3.699) 5.699 6.909 ( -4.507 -9.989 -7.705) 13.396 7.179 ( 0.767 -20.153 0.957) 20.190 7.219 ( -5.416 -1.237 0.371) 5.568 7.874 ( 13.890 6.387 -4.324) 15.888 8.260 ( -12.264 0.264 10.566) 16.190 8.800 ( -2.919 -1.570 -4.382) 5.494 10.543 ( 8.411 8.552 8.356) 14.618 10.744 ( -6.174 -7.222 -10.152) 13.905 12.237 ( -5.550 -8.279 -4.781) 11.054 12.750 ( -1.452 -1.214 6.978) 7.230 13.403 ( -6.206 -2.809 -1.933) 7.081 13.785 ( 6.449 3.631 1.341) 7.522 14.125 ( 2.462 13.633 -16.911) 21.861 18.854 ( 10.072 -0.265 2.221) 10.317 19.214 ( 3.642 14.308 13.714) 20.151 20.679 ( -12.165 -7.806 16.065) 21.611 21.395 ( -8.934 -4.196 -6.716) 11.938 23.972 ( 1.993 0.798 -0.621) 2.235 24.417 ( 2.944 -5.250 -7.792) 9.846 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 45.043 30.227 -24.971) 59.717 3.325 ( 42.876 -9.066 36.858) 57.263 4.433 ( 3.226 40.534 35.268) 53.826 5.819 ( -0.629 0.871 1.630) 1.952 6.262 ( -3.875 2.326 6.457) 7.881 6.630 ( -7.936 -15.366 -6.338) 18.419 6.863 ( -8.280 -16.269 -11.678) 21.671 7.127 ( -8.709 -2.370 -1.155) 9.100 7.988 ( -2.608 1.869 10.672) 11.143 8.402 ( 15.863 5.054 0.516) 16.656 8.718 ( -2.863 2.698 -4.345) 5.861 10.468 ( -8.926 -8.840 -10.979) 16.684 10.821 ( 9.360 7.571 6.128) 13.508 12.019 ( -7.920 -7.090 -4.282) 11.460 12.758 ( -0.757 -1.945 6.980) 7.285 13.242 ( -6.945 -4.536 -2.271) 8.601 13.939 ( 4.912 4.756 3.689) 7.769 14.171 ( -0.134 10.609 -11.750) 15.831 19.066 ( 13.556 0.499 1.053) 13.606 19.525 ( 5.050 15.465 15.304) 22.336 20.492 ( -12.303 -7.034 12.462) 18.872 21.125 ( -12.206 -4.099 -9.476) 15.987 24.015 ( 3.002 0.470 -1.189) 3.263 24.356 ( 1.289 -5.643 -5.762) 8.168 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.919 ( 41.674 25.722 -20.934) 53.260 4.133 ( 36.859 -7.421 30.314) 48.297 4.934 ( -2.287 20.246 17.782) 27.043 5.832 ( -1.912 -0.509 4.209) 4.651 6.231 ( -3.701 -1.086 3.384) 5.131 6.315 ( -9.844 -11.265 -1.784) 15.066 6.511 ( -8.356 -10.731 -4.464) 14.315 6.856 ( -16.029 0.039 -11.040) 19.463 8.102 ( 2.464 3.036 16.969) 17.413 8.478 ( -2.849 -4.946 -9.359) 10.962 8.935 ( 18.956 11.953 1.313) 22.449 10.131 ( -11.876 -10.198 -10.703) 18.963 11.087 ( 9.768 6.970 5.065) 13.025 11.782 ( -9.964 -5.453 -3.969) 12.033 12.785 ( 1.559 -2.337 6.765) 7.325 13.062 ( -6.528 -5.478 -2.604) 8.911 14.082 ( 2.764 5.571 4.434) 7.638 14.179 ( -2.331 8.387 -7.685) 11.612 19.322 ( 15.173 1.604 -0.691) 15.273 19.859 ( 5.145 13.058 15.580) 20.969 20.296 ( -11.211 -6.030 10.758) 16.667 20.792 ( -14.991 -3.074 -11.908) 19.390 24.068 ( 4.109 0.124 -1.544) 4.391 24.282 ( 0.025 -5.290 -4.035) 6.654 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( 25.570 10.823 -10.823) 29.801 4.737 ( 15.447 -5.398 8.285) 18.341 4.945 ( 8.574 -2.002 -7.442) 11.528 5.651 ( -21.938 -12.009 11.726) 27.622 6.115 ( -2.084 -0.606 -3.777) 4.356 6.217 ( -5.126 2.902 6.471) 8.751 6.447 ( 2.472 6.719 5.003) 8.734 6.527 ( -11.493 -0.906 -6.271) 13.123 8.263 ( -7.456 -4.205 -13.755) 16.201 8.305 ( 4.972 3.339 15.020) 16.170 9.408 ( 21.553 9.803 3.217) 23.895 9.741 ( -14.639 -11.047 -8.794) 20.339 11.349 ( 10.085 6.393 4.790) 12.866 11.531 ( -11.411 -3.945 -3.883) 12.683 12.854 ( 4.054 -2.544 5.159) 7.038 12.895 ( -4.531 -4.941 -1.812) 6.945 14.134 ( -3.297 6.844 -7.934) 10.984 14.217 ( -0.311 5.309 8.027) 9.629 19.584 ( 14.370 2.547 -2.759) 14.853 19.945 ( -10.083 -8.771 10.606) 17.062 20.329 ( 5.270 12.021 12.979) 18.459 20.424 ( -16.577 -0.828 -12.803) 20.962 24.136 ( 5.245 -0.179 -1.534) 5.467 24.207 ( -0.802 -4.495 -2.550) 5.230 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( -11.282 -31.989 -27.119) 43.428 4.879 ( -10.652 6.652 -4.917) 13.487 5.101 ( -32.986 -17.339 15.722) 40.447 5.443 ( 25.538 15.365 -10.363) 31.555 6.101 ( 1.285 1.456 -4.114) 4.549 6.203 ( -1.687 3.162 3.878) 5.280 6.419 ( 8.338 -5.755 6.277) 11.918 6.739 ( 6.981 12.859 10.841) 18.210 8.002 ( -8.034 -1.509 -15.816) 17.803 8.501 ( 4.806 2.260 10.843) 12.073 9.310 ( -16.671 -11.421 -7.027) 21.395 9.878 ( 19.582 8.057 5.305) 21.829 11.273 ( -12.170 -3.147 -3.880) 13.156 11.612 ( 10.511 5.309 5.073) 12.822 12.757 ( -2.931 -3.611 -4.065) 6.177 12.978 ( 7.099 -1.818 6.040) 9.496 14.071 ( -5.162 4.961 -6.466) 9.647 14.306 ( -1.811 4.785 9.145) 10.479 19.649 ( -9.087 -11.759 -0.212) 14.863 19.821 ( 1.873 1.498 1.506) 2.832 20.093 ( -10.007 1.670 -10.641) 14.702 20.664 ( 8.821 12.311 11.876) 19.246 24.137 ( -1.327 -3.482 -1.417) 3.987 24.221 ( 6.163 -0.455 -1.185) 6.293 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( -14.311 -38.072 -31.705) 51.570 4.398 ( -41.481 -20.797 26.054) 53.217 4.474 ( -34.641 13.060 -27.782) 46.286 5.780 ( 5.937 3.307 -1.317) 6.923 6.157 ( 2.366 5.845 -2.983) 6.976 6.325 ( 13.108 5.921 -0.444) 14.390 6.711 ( 21.274 -5.579 13.607) 25.862 6.980 ( 5.456 4.156 -0.036) 6.858 7.819 ( -4.447 6.714 -10.777) 13.454 8.625 ( 1.823 -2.799 5.973) 6.844 8.887 ( -16.488 -7.315 -3.620) 18.398 10.285 ( 16.649 5.875 5.225) 18.412 11.011 ( -12.807 -3.043 -3.539) 13.631 11.868 ( 10.986 3.575 5.195) 12.667 12.672 ( -0.848 -1.498 -4.736) 5.039 13.131 ( 8.312 -0.786 4.887) 9.674 13.980 ( -5.922 2.797 -4.660) 8.038 14.363 ( -3.400 3.938 9.589) 10.909 19.340 ( -10.645 -12.758 -2.365) 16.783 19.636 ( -17.928 2.187 -4.579) 18.632 20.143 ( 10.235 3.510 -4.189) 11.603 20.991 ( 9.352 9.538 8.993) 16.103 24.076 ( -1.712 -2.443 -0.692) 3.063 24.317 ( 6.584 -0.743 -0.668) 6.659 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -18.305 -38.137 -31.536) 52.764 3.616 ( -47.450 -23.727 32.500) 62.215 3.739 ( -44.645 16.489 -36.565) 60.017 5.811 ( 0.176 -1.118 1.183) 1.637 6.221 ( -1.595 7.623 2.868) 8.299 6.683 ( 19.440 5.495 -0.752) 20.216 6.966 ( 3.803 -8.668 -13.845) 16.772 7.100 ( 16.839 -0.635 9.493) 19.341 7.877 ( 2.611 14.307 -2.589) 14.772 8.386 ( -16.489 -12.756 -0.162) 20.848 8.782 ( 1.020 2.405 2.326) 3.498 10.614 ( 13.326 3.740 4.269) 14.484 10.736 ( -13.772 -3.121 -3.139) 14.466 12.112 ( 11.049 1.781 4.700) 12.138 12.635 ( 0.692 0.148 -4.890) 4.941 13.294 ( 7.809 0.518 3.444) 8.551 13.870 ( -6.050 0.500 -2.997) 6.770 14.393 ( -4.209 2.867 9.896) 11.130 19.044 ( -8.674 -9.573 -4.292) 13.613 19.328 ( -17.622 1.480 -2.640) 17.880 20.317 ( 9.085 3.322 -4.309) 10.590 21.270 ( 8.961 6.365 5.828) 12.441 24.023 ( -1.981 -1.503 -0.329) 2.509 24.416 ( 6.321 -0.970 -0.095) 6.396 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -23.961 -30.576 -25.160) 46.282 2.770 ( -51.822 -23.928 37.064) 68.057 2.857 ( -50.898 18.346 -40.170) 67.386 5.827 ( 2.172 -0.470 0.968) 2.424 6.308 ( -1.682 8.078 9.641) 12.690 6.804 ( 3.207 -9.314 -19.067) 21.461 7.037 ( 16.132 2.956 0.363) 16.404 7.357 ( 7.425 -0.068 4.859) 8.873 7.970 ( -14.823 -1.606 -8.654) 17.239 8.108 ( 5.986 3.142 7.696) 10.244 8.855 ( 3.957 1.209 1.253) 4.323 10.441 ( -15.454 -2.671 -2.320) 15.854 10.866 ( 10.467 1.969 2.496) 10.940 12.327 ( 10.191 0.528 2.964) 10.626 12.631 ( 1.462 0.653 -3.519) 3.866 13.438 ( 5.960 1.403 1.842) 6.394 13.753 ( -5.570 -1.214 -1.571) 5.913 14.408 ( -3.736 1.629 9.124) 9.993 18.823 ( -6.058 -5.083 -3.254) 8.551 19.051 ( -14.852 0.683 -1.201) 14.916 20.448 ( 6.531 2.173 -4.754) 8.365 21.485 ( 7.826 3.134 2.798) 8.883 23.977 ( -2.019 -0.693 -0.151) 2.139 24.506 ( 5.391 -0.865 0.436) 5.477 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -30.129 0.000 0.000) 30.129 1.892 ( -54.724 0.000 0.000) 54.724 1.903 ( -55.102 0.000 0.000) 55.102 5.881 ( 3.566 -0.000 -0.000) 3.566 6.399 ( -0.129 0.000 0.000) 0.129 6.717 ( 4.437 -0.000 -0.000) 4.437 7.292 ( 11.505 -0.000 -0.000) 11.505 7.405 ( -2.248 0.000 0.000) 2.248 7.650 ( -15.779 0.000 0.000) 15.779 8.331 ( 12.574 -0.000 -0.000) 12.574 8.944 ( 4.866 -0.000 -0.000) 4.866 10.151 ( -15.792 0.000 0.000) 15.792 11.033 ( 7.293 -0.000 -0.000) 7.293 12.494 ( 7.976 -0.000 -0.000) 7.976 12.650 ( 1.614 -0.000 -0.000) 1.614 13.534 ( 3.494 -0.000 -0.000) 3.494 13.654 ( -4.213 0.000 0.000) 4.213 14.406 ( -2.004 0.000 0.000) 2.004 18.706 ( -3.551 0.000 0.000) 3.551 18.835 ( -10.653 0.000 0.000) 10.653 20.522 ( 3.611 -0.000 -0.000) 3.611 21.626 ( 5.952 -0.000 -0.000) 5.952 23.942 ( -1.683 0.000 0.000) 1.683 24.583 ( 3.934 -0.000 -0.000) 3.934 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 18.460 17.917) 25.725 1.333 ( -0.000 23.095 12.754) 26.383 3.571 ( 0.000 53.437 46.616) 70.912 6.072 ( 0.000 1.740 10.605) 10.747 6.171 ( -0.000 5.885 -8.198) 10.092 6.970 ( -0.000 -12.190 -15.022) 19.346 7.036 ( 0.000 -16.310 12.556) 20.583 7.326 ( -0.000 5.267 -5.962) 7.955 7.598 ( 0.000 -2.864 5.419) 6.129 8.609 ( 0.000 -9.934 6.845) 12.064 8.850 ( -0.000 -2.541 -4.726) 5.365 10.392 ( 0.000 8.378 12.013) 14.646 10.848 ( -0.000 -7.476 -10.973) 13.278 12.324 ( 0.000 -8.603 -5.159) 10.031 12.784 ( 0.000 0.482 6.325) 6.343 13.539 ( -0.000 1.945 -0.302) 1.968 13.623 ( -0.000 3.410 -2.598) 4.287 14.065 ( -0.000 21.446 -18.680) 28.441 18.680 ( 0.000 -0.638 3.098) 3.163 19.150 ( 0.000 14.625 14.042) 20.275 20.958 ( 0.000 -12.766 19.120) 22.991 21.577 ( 0.000 -4.949 -2.653) 5.615 23.937 ( -0.000 0.590 -0.654) 0.881 24.299 ( -0.000 -4.427 -11.771) 12.576 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 25.524 30.112 -7.516) 40.183 1.954 ( 32.649 4.564 30.163) 44.683 4.361 ( 1.078 47.836 41.995) 63.663 5.986 ( -10.079 2.449 2.397) 10.645 6.310 ( 3.946 5.348 5.469) 8.607 6.717 ( 0.788 -21.049 -17.010) 27.075 6.978 ( 1.766 -13.598 4.132) 14.321 7.302 ( -3.726 0.554 0.495) 3.800 7.675 ( 9.894 -0.009 -1.514) 10.009 8.491 ( -8.688 -2.934 5.007) 10.448 8.799 ( -1.243 -0.310 -3.390) 3.624 10.564 ( 4.169 5.785 8.099) 10.791 10.672 ( -2.674 -8.290 -11.794) 14.662 12.194 ( -2.528 -7.772 -3.946) 9.075 12.814 ( -1.667 -0.124 6.530) 6.741 13.487 ( -6.821 -0.344 -0.165) 6.832 13.726 ( 6.772 6.134 -0.096) 9.137 14.165 ( 0.492 17.364 -12.439) 21.365 18.739 ( 5.211 -0.593 3.263) 6.177 19.413 ( 1.742 16.744 15.723) 23.035 20.884 ( -8.401 -8.851 15.679) 19.869 21.452 ( -6.495 -4.379 -4.414) 8.991 23.943 ( 1.132 -0.080 -1.466) 1.854 24.220 ( 4.933 -6.771 -10.694) 13.585 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 37.957 31.631 -18.368) 52.713 2.781 ( 39.924 -4.813 34.887) 53.237 5.019 ( -2.115 36.677 31.982) 48.708 5.883 ( -4.723 0.573 1.034) 4.869 6.342 ( -2.725 -16.392 -9.832) 19.308 6.443 ( 0.152 -5.592 1.549) 5.805 6.856 ( -5.836 -6.431 -1.076) 8.750 7.230 ( -5.978 -2.414 2.502) 6.915 7.886 ( 15.742 -1.023 -1.425) 15.840 8.392 ( -4.979 3.123 3.867) 7.035 8.758 ( -2.020 2.201 -3.211) 4.385 10.424 ( -5.772 -9.773 -12.557) 16.926 10.773 ( 8.176 4.747 5.390) 10.883 12.042 ( -5.170 -6.236 -2.372) 8.441 12.811 ( -2.523 -0.945 5.963) 6.543 13.332 ( -9.190 -2.644 -0.220) 9.565 13.921 ( 6.842 7.698 2.499) 10.598 14.247 ( -1.320 14.178 -8.334) 16.499 18.882 ( 9.855 -0.249 2.733) 10.230 19.721 ( 2.792 17.483 16.254) 24.034 20.725 ( -12.425 -6.949 14.489) 20.313 21.231 ( -10.743 -2.853 -7.892) 13.632 23.955 ( 2.393 -0.871 -2.325) 3.449 24.180 ( 5.696 -7.761 -8.681) 12.963 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 40.808 29.216 -20.488) 54.209 3.611 ( 39.891 -8.051 33.526) 52.726 5.204 ( -10.721 -4.360 -2.972) 11.949 5.881 ( -0.277 2.745 6.214) 6.799 6.180 ( 4.537 -0.252 0.808) 4.616 6.386 ( -7.830 -3.660 4.921) 9.946 6.678 ( -11.710 0.027 5.815) 13.074 7.042 ( -13.291 -1.032 -6.329) 14.757 8.127 ( 10.590 -1.153 9.583) 14.328 8.400 ( -0.260 -0.356 -3.960) 3.985 8.803 ( 7.542 8.095 -2.453) 11.333 10.126 ( -8.462 -10.678 -12.107) 18.227 11.003 ( 10.447 4.222 3.727) 11.868 11.870 ( -7.938 -4.088 -1.523) 9.058 12.797 ( -1.453 -1.898 5.214) 5.736 13.138 ( -9.461 -4.338 0.035) 10.408 14.119 ( 4.583 8.598 3.842) 10.473 14.288 ( -3.377 11.442 -5.375) 13.084 19.092 ( 13.288 0.329 1.605) 13.389 20.033 ( 2.381 15.000 15.529) 21.722 20.528 ( -13.563 -5.588 13.719) 20.085 20.946 ( -13.719 -0.682 -10.844) 17.501 23.979 ( 3.844 -1.575 -2.915) 5.075 24.146 ( 4.639 -7.302 -6.398) 10.760 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 36.597 21.779 -17.452) 46.025 4.361 ( 33.197 -6.870 24.633) 41.905 4.734 ( -7.841 -26.607 -21.230) 34.931 5.895 ( -7.804 -2.067 8.285) 11.568 6.146 ( -7.761 -5.113 -2.788) 9.703 6.412 ( -2.392 8.520 14.310) 16.825 6.590 ( -6.878 9.206 5.020) 12.541 6.719 ( -16.094 0.079 -5.524) 17.015 8.253 ( -4.459 -3.684 -10.334) 11.843 8.354 ( 3.742 2.241 13.839) 14.510 9.137 ( 20.918 8.071 -1.521) 22.472 9.787 ( -10.720 -10.778 -9.744) 18.056 11.248 ( 11.346 3.870 2.935) 12.342 11.674 ( -10.703 -1.922 -1.621) 10.994 12.803 ( 1.546 -2.858 4.537) 5.580 12.944 ( -8.037 -4.808 0.111) 9.366 14.255 ( -3.689 10.986 -2.846) 11.933 14.315 ( 0.235 6.485 4.030) 7.639 19.343 ( 14.856 0.888 0.134) 14.883 20.127 ( -11.878 -5.679 11.699) 17.613 20.487 ( -0.212 11.271 12.669) 16.958 20.632 ( -15.614 2.022 -10.613) 18.987 24.020 ( 5.406 -2.026 -3.013) 6.512 24.114 ( 3.178 -5.982 -4.230) 7.986 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -12.688 -32.510 -27.662) 44.532 4.851 ( 23.091 4.680 6.048) 24.324 5.030 ( 27.846 12.138 -6.444) 31.052 5.583 ( -25.137 -11.546 14.959) 31.448 6.081 ( 0.454 1.604 -3.583) 3.951 6.324 ( -11.873 3.007 -11.770) 16.987 6.421 ( -7.404 -1.919 12.469) 14.628 6.820 ( 2.980 10.090 8.411) 13.470 8.040 ( -7.400 -0.793 -11.231) 13.474 8.531 ( 3.114 2.960 11.886) 12.639 9.361 ( -6.372 -9.843 -11.012) 16.086 9.647 ( 16.543 5.080 3.752) 17.707 11.441 ( -9.162 0.031 -2.151) 9.411 11.503 ( 7.809 2.290 2.906) 8.642 12.777 ( -5.571 -3.024 -0.920) 6.405 12.867 ( 5.482 -3.903 4.321) 7.997 14.216 ( -7.557 7.943 -3.541) 11.520 14.427 ( 0.055 5.968 6.286) 8.668 19.578 ( 10.181 -0.204 -2.318) 10.444 19.868 ( -11.875 -8.813 7.989) 16.808 20.308 ( -17.045 2.551 -8.642) 19.280 20.752 ( 4.647 13.036 10.830) 17.574 24.081 ( 4.185 -3.222 -2.645) 5.907 24.087 ( 4.357 -3.190 -2.377) 5.900 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -16.101 -30.693 -25.455) 43.003 4.935 ( -20.180 10.702 -14.833) 27.236 5.005 ( -31.937 -15.876 21.045) 41.411 5.606 ( 20.476 11.684 -6.126) 24.358 6.080 ( 2.638 1.536 -3.502) 4.646 6.287 ( 9.206 -0.968 0.972) 9.308 6.444 ( 4.192 -1.231 13.818) 14.492 6.922 ( 0.986 0.087 -4.715) 4.818 7.910 ( -3.610 6.080 -5.062) 8.696 8.644 ( -0.388 0.720 8.068) 8.109 9.019 ( -12.245 -8.680 -7.048) 16.581 10.052 ( 19.815 4.281 2.967) 20.488 11.204 ( -14.018 -0.409 -2.063) 14.175 11.728 ( 11.559 1.368 2.840) 11.981 12.673 ( -3.321 -1.182 -1.563) 3.856 12.983 ( 9.164 -2.926 3.131) 10.117 14.123 ( -8.542 4.880 -2.290) 10.101 14.500 ( -1.836 4.501 5.594) 7.411 19.433 ( -13.469 -7.611 -1.730) 15.567 19.884 ( -0.239 0.212 5.403) 5.412 20.022 ( -6.810 2.334 -8.216) 10.924 21.009 ( 6.010 9.176 7.354) 13.206 24.058 ( 0.407 -2.556 -1.162) 2.837 24.173 ( 7.649 -1.861 -1.777) 8.070 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -20.686 -20.836 -17.207) 34.031 4.351 ( -40.693 -13.251 18.531) 46.635 4.407 ( -40.202 10.779 -19.206) 45.839 5.809 ( 0.732 0.456 0.217) 0.889 6.297 ( 16.056 8.431 -1.318) 18.182 6.428 ( 5.317 3.684 4.903) 8.117 6.687 ( 11.644 -10.787 1.723) 15.966 6.878 ( 9.085 -0.326 -6.063) 10.927 7.959 ( 1.426 8.306 -0.420) 8.438 8.532 ( -13.506 -6.841 0.901) 15.166 8.821 ( -2.482 0.282 -0.262) 2.511 10.407 ( 16.864 2.034 1.804) 17.081 10.946 ( -14.724 -0.666 -1.291) 14.796 11.948 ( 11.836 0.227 2.004) 12.006 12.621 ( -1.258 0.090 -1.576) 2.019 13.147 ( 10.509 -1.162 1.666) 10.704 13.999 ( -8.719 1.910 -1.173) 9.003 14.524 ( -2.933 2.415 3.875) 5.426 19.134 ( -12.616 -4.633 -1.766) 13.556 19.639 ( -19.090 0.735 -0.588) 19.113 20.153 ( 11.181 1.213 -1.453) 11.340 21.220 ( 7.080 4.483 3.543) 9.098 24.032 ( -0.793 -1.088 -0.385) 1.400 24.280 ( 7.719 -1.142 -0.812) 7.845 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -25.352 0.000 0.000) 25.352 3.613 ( -46.810 0.000 0.000) 46.810 3.645 ( -47.810 0.000 0.000) 47.810 5.804 ( 0.186 -0.000 -0.000) 0.186 6.469 ( -3.433 0.000 0.000) 3.433 6.610 ( 2.744 -0.000 -0.000) 2.744 6.730 ( 20.799 -0.000 -0.000) 20.799 7.166 ( 17.152 -0.000 -0.000) 17.152 8.055 ( 3.931 -0.000 -0.000) 3.931 8.222 ( -17.151 0.000 0.000) 17.151 8.820 ( 1.140 -0.000 -0.000) 1.140 10.679 ( 13.713 -0.000 -0.000) 13.713 10.685 ( -15.366 0.000 0.000) 15.366 12.153 ( 11.589 -0.000 -0.000) 11.589 12.609 ( 0.319 -0.000 -0.000) 0.319 13.318 ( 9.308 -0.000 -0.000) 9.308 13.861 ( -7.932 0.000 0.000) 7.932 14.498 ( -3.143 0.000 0.000) 3.143 18.918 ( -9.452 0.000 0.000) 9.452 19.328 ( -17.841 0.000 0.000) 17.841 20.322 ( 8.567 -0.000 -0.000) 8.567 21.378 ( 7.858 -0.000 -0.000) 7.858 24.005 ( -1.670 0.000 0.000) 1.670 24.396 ( 6.976 -0.000 -0.000) 6.976 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 15.489 15.370) 21.821 1.897 ( -0.000 19.405 10.845) 22.230 5.055 ( 0.000 43.106 38.030) 57.484 6.185 ( -0.000 4.051 -4.848) 6.317 6.220 ( 0.000 -17.018 -5.987) 18.041 6.423 ( 0.000 -6.612 -1.415) 6.762 6.881 ( 0.000 -11.199 6.164) 12.783 7.347 ( -0.000 2.377 -2.601) 3.523 7.557 ( 0.000 -3.563 -0.960) 3.690 8.556 ( 0.000 -1.803 2.111) 2.776 8.798 ( -0.000 1.125 -1.933) 2.236 10.526 ( -0.000 -9.461 -12.908) 16.004 10.615 ( 0.000 2.542 6.085) 6.595 12.129 ( 0.000 -5.682 -2.932) 6.394 12.871 ( 0.000 -0.077 6.307) 6.307 13.631 ( 0.000 4.661 4.317) 6.353 13.659 ( -0.000 3.658 -2.551) 4.459 14.266 ( -0.000 16.848 -8.347) 18.802 18.710 ( 0.000 -0.669 3.501) 3.565 19.674 ( 0.000 18.220 16.876) 24.835 20.965 ( 0.000 -7.078 12.462) 14.332 21.446 ( 0.000 -4.943 -2.194) 5.408 23.915 ( -0.000 -1.143 -2.486) 2.736 24.034 ( -0.000 -7.312 -11.201) 13.376 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 21.022 24.688 -3.875) 32.656 2.389 ( 26.702 4.101 24.276) 36.320 5.554 ( -9.439 11.283 9.907) 17.735 5.860 ( 4.325 -9.146 -1.801) 10.276 6.134 ( -4.448 -0.518 -4.949) 6.674 6.545 ( -1.044 4.563 12.768) 13.599 6.857 ( 2.335 -4.119 5.741) 7.442 7.313 ( -4.053 -0.246 0.940) 4.168 7.606 ( 10.961 -2.281 -3.839) 11.835 8.519 ( -4.371 1.278 1.256) 4.724 8.788 ( -1.280 1.732 -2.264) 3.125 10.323 ( -3.295 -9.863 -12.532) 16.285 10.707 ( 5.733 0.604 3.547) 6.769 12.046 ( -2.641 -3.943 -1.427) 4.955 12.887 ( -2.296 -0.432 5.456) 5.935 13.502 ( -11.574 1.306 0.666) 11.666 13.873 ( 9.688 6.846 2.763) 12.180 14.369 ( -1.249 14.838 -5.179) 15.765 18.770 ( 5.177 -0.513 3.160) 6.087 19.969 ( 1.062 18.254 16.685) 24.753 20.920 ( -7.006 -5.451 11.985) 14.915 21.321 ( -7.570 -3.352 -3.962) 9.178 23.890 ( 1.339 -2.184 -3.443) 4.292 23.942 ( 5.413 -7.883 -9.916) 13.775 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 33.940 28.184 -16.124) 46.970 3.093 ( 36.424 -6.527 30.672) 48.063 5.068 ( -8.587 -34.366 -26.029) 43.958 6.013 ( -5.510 3.233 5.664) 8.538 6.229 ( 3.827 18.155 9.738) 20.954 6.538 ( -6.925 -1.925 11.603) 13.649 6.904 ( -5.623 5.609 8.751) 11.818 7.205 ( -9.570 0.293 -1.661) 9.717 7.850 ( 20.647 -1.585 1.630) 20.772 8.459 ( -5.117 0.754 -0.077) 5.172 8.780 ( 0.835 3.881 -3.542) 5.320 10.069 ( -6.192 -10.149 -11.533) 16.564 10.866 ( 10.328 0.386 2.135) 10.553 11.945 ( -5.245 -2.327 -0.235) 5.743 12.860 ( -3.514 -0.817 4.171) 5.515 13.302 ( -12.701 -1.027 0.887) 12.773 14.117 ( 8.238 7.419 3.809) 11.722 14.437 ( -3.458 12.483 -3.204) 13.343 18.911 ( 9.760 -0.153 2.326) 10.034 20.256 ( 0.645 15.633 15.080) 21.731 20.789 ( -11.888 -4.711 13.690) 18.733 21.095 ( -11.869 -0.210 -8.404) 14.544 23.877 ( 2.937 -2.925 -3.979) 5.746 23.923 ( 7.392 -7.499 -7.537) 12.949 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( 37.140 24.538 -18.385) 48.161 3.840 ( 38.375 -9.394 27.978) 48.411 4.409 ( -7.931 -35.035 -26.759) 44.793 6.007 ( -1.868 2.611 3.409) 4.683 6.247 ( -10.408 -3.877 -0.132) 11.107 6.622 ( -1.637 7.272 15.242) 16.967 6.870 ( -12.055 8.545 2.154) 14.933 6.989 ( -14.575 3.512 2.247) 15.160 8.172 ( 9.412 -0.026 -1.164) 9.484 8.383 ( 0.941 -1.692 6.773) 7.044 8.896 ( 11.183 5.948 -5.847) 13.951 9.782 ( -8.173 -9.706 -9.146) 15.641 11.079 ( 12.726 0.721 1.417) 12.825 11.818 ( -8.185 -0.794 -0.040) 8.224 12.817 ( -2.596 -1.448 3.060) 4.266 13.081 ( -11.958 -2.272 1.087) 12.220 14.330 ( 5.790 6.631 4.107) 9.714 14.451 ( -5.810 9.837 -2.046) 11.606 19.116 ( 13.082 0.222 1.227) 13.141 20.375 ( -11.495 -0.007 11.747) 16.435 20.695 ( -4.776 6.132 11.934) 14.242 20.838 ( -12.968 3.311 -8.789) 16.012 23.886 ( 4.709 -3.076 -3.780) 6.777 23.939 ( 6.847 -6.018 -4.942) 10.369 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -10.850 -28.034 -23.721) 38.293 4.390 ( 35.874 10.456 -5.983) 37.843 4.578 ( 36.120 -0.783 11.721) 37.982 5.929 ( -17.311 -5.838 8.509) 20.153 6.072 ( -0.135 1.159 -2.253) 2.537 6.524 ( -17.094 -1.239 -8.332) 19.057 6.705 ( -13.098 7.290 8.921) 17.444 6.959 ( -4.598 5.982 6.557) 9.996 8.083 ( -5.940 -0.844 -7.475) 9.585 8.589 ( 5.242 3.575 14.637) 15.953 9.136 ( 14.762 -1.399 -11.569) 18.807 9.550 ( -1.884 -4.147 -1.617) 4.834 11.314 ( 13.098 0.868 1.003) 13.165 11.650 ( -11.274 0.103 -0.473) 11.285 12.798 ( 0.715 -2.044 2.261) 3.131 12.884 ( -9.441 -2.009 0.774) 9.683 14.406 ( -7.725 6.639 -1.298) 10.268 14.486 ( 3.012 5.050 3.647) 6.919 19.357 ( 14.154 0.335 0.080) 14.158 20.109 ( -18.795 -5.980 6.535) 20.778 20.558 ( -14.958 2.257 -5.863) 16.223 20.876 ( 1.821 10.217 8.521) 13.428 23.931 ( 6.372 -2.530 -2.837) 7.420 23.968 ( 5.197 -3.926 -2.668) 7.038 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -14.645 -17.665 -14.508) 27.148 4.975 ( 23.322 1.496 3.074) 23.571 5.130 ( 18.221 5.119 -4.631) 19.484 5.601 ( -17.436 -3.389 9.068) 19.943 6.077 ( -0.893 1.072 -1.422) 1.992 6.177 ( -10.312 -1.965 -6.328) 12.257 6.637 ( -9.078 4.458 11.233) 15.116 6.911 ( -4.497 -1.341 -5.096) 6.927 7.977 ( -2.891 2.027 -2.641) 4.410 8.751 ( -0.859 5.196 11.208) 12.384 9.032 ( -5.731 -8.712 -11.161) 15.275 9.756 ( 19.760 2.051 1.431) 19.917 11.432 ( -13.387 0.779 -0.925) 13.442 11.546 ( 12.131 -0.152 1.067) 12.179 12.741 ( -6.295 -0.605 0.011) 6.324 12.843 ( 5.627 -1.796 1.402) 6.071 14.306 ( -9.065 3.258 -0.709) 9.659 14.573 ( 0.521 2.673 2.350) 3.597 19.534 ( 1.705 -1.113 -0.996) 2.267 19.833 ( -5.962 -2.428 3.012) 7.107 20.276 ( -17.381 1.248 -2.900) 17.666 21.041 ( 3.531 5.496 4.327) 7.835 23.999 ( 3.185 -1.699 -1.016) 3.750 24.016 ( 7.527 -1.471 -1.397) 7.795 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -18.537 0.000 0.000) 18.537 4.927 ( -27.203 0.000 0.000) 27.203 5.001 ( -27.734 0.000 0.000) 27.734 5.693 ( 16.573 -0.000 -0.000) 16.573 6.074 ( 4.292 -0.000 -0.000) 4.292 6.259 ( 19.019 -0.000 -0.000) 19.019 6.616 ( -2.855 0.000 0.000) 2.855 6.785 ( -3.165 0.000 0.000) 3.165 7.972 ( 0.762 -0.000 -0.000) 0.762 8.735 ( -12.383 0.000 0.000) 12.383 8.847 ( -1.508 0.000 0.000) 1.508 10.113 ( 19.846 -0.000 -0.000) 19.846 11.190 ( -14.844 0.000 0.000) 14.844 11.754 ( 12.008 -0.000 -0.000) 12.008 12.656 ( -3.514 0.000 0.000) 3.514 12.970 ( 9.666 -0.000 -0.000) 9.666 14.162 ( -9.510 0.000 0.000) 9.510 14.585 ( -1.483 0.000 0.000) 1.483 19.345 ( -15.050 0.000 0.000) 15.050 19.951 ( 12.293 -0.000 -0.000) 12.293 19.965 ( -19.052 0.000 0.000) 19.052 21.153 ( 5.102 -0.000 -0.000) 5.102 24.023 ( 1.020 -0.000 -0.000) 1.020 24.137 ( 8.059 -0.000 -0.000) 8.059 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.000 11.360 11.428) 16.114 2.347 ( -0.000 14.071 8.329) 16.351 5.230 ( 0.000 -40.703 -29.812) 50.453 6.141 ( -0.000 26.729 13.281) 29.846 6.212 ( 0.000 3.821 7.100) 8.063 6.747 ( 0.000 10.723 17.751) 20.739 6.781 ( 0.000 -7.322 7.466) 10.457 7.363 ( -0.000 2.852 -1.603) 3.272 7.467 ( 0.000 -3.076 -2.197) 3.780 8.573 ( -0.000 1.814 -0.097) 1.816 8.795 ( -0.000 0.365 -3.062) 3.084 10.186 ( -0.000 -8.901 -10.987) 14.140 10.663 ( 0.000 -1.873 1.813) 2.606 12.032 ( 0.000 -2.201 -0.745) 2.324 12.935 ( 0.000 -0.627 4.661) 4.703 13.699 ( -0.000 3.165 -1.733) 3.608 13.800 ( 0.000 5.405 5.382) 7.627 14.496 ( -0.000 13.508 -2.411) 13.722 18.740 ( 0.000 -0.534 2.915) 2.964 20.240 ( 0.000 17.514 15.758) 23.560 20.999 ( 0.000 -3.464 8.696) 9.360 21.343 ( 0.000 -3.454 -0.963) 3.586 23.756 ( -0.000 -7.252 -9.424) 11.891 23.828 ( -0.000 -3.205 -4.270) 5.339 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 20.436 17.947 -3.739) 27.453 2.710 ( 22.248 1.052 17.956) 28.609 4.618 ( -3.471 -38.961 -29.011) 48.700 6.147 ( -5.516 2.242 -1.616) 6.169 6.456 ( -3.240 13.595 7.818) 16.014 6.715 ( -4.524 -0.155 15.215) 15.874 7.063 ( 4.079 9.359 13.358) 16.812 7.348 ( -5.171 3.508 1.780) 6.497 7.527 ( 13.431 -1.389 -1.916) 13.638 8.545 ( -4.937 0.388 -1.319) 5.124 8.772 ( 0.813 0.707 -4.180) 4.317 10.005 ( -4.489 -7.908 -8.861) 12.696 10.713 ( 7.311 -1.934 0.908) 7.616 11.993 ( -2.491 -1.074 -0.019) 2.713 12.932 ( -2.571 -0.703 3.392) 4.314 13.541 ( -14.113 1.605 0.527) 14.213 14.033 ( 11.266 5.187 3.058) 12.774 14.589 ( -2.158 11.033 -0.847) 11.274 18.796 ( 5.184 -0.339 2.219) 5.649 20.492 ( -0.115 14.527 13.245) 19.660 20.975 ( -5.573 -2.721 8.845) 10.803 21.231 ( -8.805 -1.277 -2.844) 9.341 23.688 ( 5.885 -6.309 -7.302) 11.303 23.779 ( 1.630 -3.608 -4.418) 5.933 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 31.999 22.938 -17.412) 43.049 3.287 ( 34.554 -10.773 25.835) 44.469 4.025 ( -5.404 -31.727 -23.832) 40.047 6.080 ( -3.501 1.718 0.119) 3.902 6.404 ( -9.926 -0.401 1.095) 9.994 6.786 ( -2.651 2.728 9.453) 10.190 7.152 ( -8.415 7.490 5.285) 12.443 7.274 ( -10.753 5.571 4.372) 12.875 7.899 ( 24.612 2.829 4.869) 25.248 8.401 ( -6.233 -4.667 -3.018) 8.351 8.807 ( 3.358 3.640 -3.836) 6.265 9.779 ( -7.538 -6.891 -6.533) 12.124 10.871 ( 12.058 -0.922 0.598) 12.108 11.925 ( -5.064 -0.292 0.310) 5.082 12.884 ( -4.058 -0.715 2.028) 4.593 13.306 ( -14.863 0.008 0.814) 14.885 14.273 ( 9.458 4.133 2.386) 10.594 14.621 ( -4.565 7.861 -0.246) 9.093 18.932 ( 9.724 -0.072 1.300) 9.811 20.631 ( -6.943 5.204 9.535) 12.892 20.896 ( -7.051 -0.027 8.633) 11.146 21.025 ( -11.350 3.127 -5.254) 12.892 23.723 ( 8.420 -4.624 -4.452) 10.588 23.763 ( 3.508 -3.119 -3.593) 5.911 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -7.705 -16.280 -14.219) 22.947 3.837 ( 35.276 9.044 -7.667) 37.216 3.975 ( 39.895 -5.040 11.766) 41.898 6.067 ( -0.096 1.139 0.189) 1.159 6.193 ( -14.232 -2.160 1.697) 14.495 6.721 ( -10.196 -0.907 -0.120) 10.237 7.052 ( -13.246 7.787 2.103) 15.508 7.161 ( -10.843 0.841 4.789) 11.883 8.141 ( -5.416 1.156 -3.384) 6.490 8.478 ( 22.522 -1.268 9.238) 24.376 8.878 ( 4.869 1.916 -7.136) 8.849 9.566 ( -6.558 -3.962 -2.731) 8.134 11.091 ( 13.906 -0.167 0.333) 13.911 11.816 ( -8.227 0.101 0.098) 8.228 12.821 ( -3.308 -0.679 0.969) 3.513 13.068 ( -13.191 -0.495 0.584) 13.214 14.451 ( 6.247 2.158 1.376) 6.751 14.585 ( -6.392 4.194 -0.028) 7.645 19.130 ( 12.929 0.072 0.441) 12.936 20.435 ( -19.548 -2.243 4.637) 20.215 20.770 ( -11.502 1.294 -3.074) 11.975 20.984 ( -0.701 5.247 4.438) 6.908 23.795 ( 5.342 -1.712 -1.907) 5.925 23.810 ( 7.931 -2.368 -1.876) 8.487 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -11.501 0.000 0.000) 11.501 4.459 ( 35.389 -0.000 -0.000) 35.389 4.650 ( 37.028 -0.000 -0.000) 37.028 5.918 ( -17.728 0.000 0.000) 17.728 6.083 ( 0.618 -0.000 -0.000) 0.618 6.448 ( -19.794 0.000 0.000) 19.794 6.898 ( -12.577 0.000 0.000) 12.577 6.992 ( -8.631 0.000 0.000) 8.631 8.036 ( -4.662 0.000 0.000) 4.662 8.866 ( 12.449 -0.000 -0.000) 12.449 8.874 ( 0.130 -0.000 -0.000) 0.130 9.522 ( 6.658 -0.000 -0.000) 6.658 11.326 ( 13.762 -0.000 -0.000) 13.762 11.649 ( -11.601 0.000 0.000) 11.601 12.790 ( 0.277 -0.000 -0.000) 0.277 12.873 ( -9.831 0.000 0.000) 9.831 14.464 ( -7.448 0.000 0.000) 7.448 14.564 ( 2.572 -0.000 -0.000) 2.572 19.360 ( 13.678 -0.000 -0.000) 13.678 20.090 ( -20.229 0.000 0.000) 20.229 20.545 ( -14.828 0.000 0.000) 14.828 21.039 ( 1.792 -0.000 -0.000) 1.792 23.882 ( 6.751 -0.000 -0.000) 6.751 23.911 ( 5.874 -0.000 -0.000) 5.874 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 6.082 6.145) 8.646 2.639 ( -0.000 7.344 4.618) 8.675 4.120 ( 0.000 -32.585 -24.366) 40.688 6.204 ( -0.000 1.678 -2.338) 2.878 6.624 ( -0.000 5.010 1.302) 5.176 6.843 ( 0.000 -0.260 12.218) 12.220 7.174 ( 0.000 10.007 14.599) 17.700 7.396 ( -0.000 -1.654 -1.318) 2.115 7.460 ( -0.000 6.548 2.349) 6.956 8.609 ( -0.000 1.938 -0.563) 2.018 8.703 ( -0.000 -3.224 -6.259) 7.040 9.942 ( -0.000 -4.884 -5.426) 7.301 10.627 ( 0.000 -2.294 0.233) 2.306 12.007 ( 0.000 -0.417 0.062) 0.422 12.966 ( 0.000 -0.605 2.354) 2.431 13.733 ( -0.000 1.877 -0.761) 2.026 13.944 ( 0.000 3.322 3.192) 4.607 14.700 ( -0.000 8.025 0.224) 8.028 18.761 ( 0.000 -0.289 1.620) 1.646 20.694 ( 0.000 11.027 9.735) 14.710 21.042 ( 0.000 -1.254 4.797) 4.958 21.293 ( 0.000 -1.233 0.266) 1.261 23.540 ( -0.000 -4.521 -5.568) 7.172 23.704 ( -0.000 -3.347 -3.897) 5.137 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 22.193 7.797 -2.944) 23.707 2.875 ( 18.575 -1.129 8.044) 20.273 3.717 ( -2.685 -18.832 -14.142) 23.704 6.160 ( -4.397 0.781 -0.770) 4.531 6.568 ( -8.258 0.548 0.523) 8.292 6.883 ( -1.825 0.413 4.671) 5.032 7.342 ( -3.909 3.712 3.944) 6.680 7.487 ( -4.930 3.476 4.413) 7.474 7.544 ( 20.949 3.100 2.346) 21.307 8.478 ( -9.470 -2.640 -3.346) 10.385 8.742 ( 5.523 0.740 -2.015) 5.925 9.823 ( -6.344 -2.859 -2.825) 7.510 10.686 ( 8.401 -1.064 0.126) 8.469 11.986 ( -2.301 -0.093 0.136) 2.307 12.949 ( -2.744 -0.354 1.115) 2.983 13.569 ( -14.918 0.687 0.200) 14.936 14.132 ( 11.723 1.882 1.183) 11.932 14.741 ( -2.454 4.207 0.273) 4.878 18.811 ( 5.196 -0.117 0.789) 5.257 20.807 ( -2.319 4.983 5.045) 7.461 21.022 ( -4.000 -0.646 2.981) 5.030 21.205 ( -8.985 0.483 -0.365) 9.005 23.535 ( 6.224 -2.423 -2.731) 7.216 23.672 ( 1.880 -1.996 -2.254) 3.549 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 29.631 -0.000 -0.000) 29.631 3.334 ( 36.252 -0.000 -0.000) 36.252 3.510 ( -5.234 0.000 0.000) 5.234 6.095 ( -2.877 0.000 0.000) 2.877 6.405 ( -11.384 0.000 0.000) 11.384 6.843 ( -4.896 0.000 0.000) 4.896 7.270 ( -7.915 0.000 0.000) 7.915 7.380 ( -10.975 0.000 0.000) 10.975 8.015 ( 29.149 -0.000 -0.000) 29.149 8.280 ( -9.635 0.000 0.000) 9.635 8.820 ( 3.531 -0.000 -0.000) 3.531 9.667 ( -8.490 0.000 0.000) 8.490 10.864 ( 12.654 -0.000 -0.000) 12.654 11.926 ( -4.948 0.000 0.000) 4.948 12.889 ( -4.280 0.000 0.000) 4.280 13.312 ( -15.472 0.000 0.000) 15.472 14.329 ( 9.786 -0.000 -0.000) 9.786 14.701 ( -4.767 0.000 0.000) 4.767 18.940 ( 9.712 -0.000 -0.000) 9.712 20.728 ( -12.661 0.000 0.000) 12.661 20.929 ( -7.824 0.000 0.000) 7.824 21.068 ( -5.768 0.000 0.000) 5.768 23.647 ( 8.816 -0.000 -0.000) 8.816 23.703 ( 3.750 -0.000 -0.000) 3.750 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -0.000 0.000 -0.000) 0.000 2.741 ( -0.000 0.000 0.000) 0.000 3.600 ( -0.000 0.000 0.000) 0.000 6.204 ( -0.000 0.000 -0.000) 0.000 6.657 ( 0.000 -0.000 0.000) 0.000 6.915 ( -0.000 0.000 0.000) 0.000 7.357 ( -0.000 0.000 -0.000) 0.000 7.409 ( -0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 8.602 ( -0.000 0.000 0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 9.863 ( -0.000 0.000 0.000) 0.000 10.603 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.975 ( -0.000 0.000 0.000) 0.000 13.748 ( -0.000 0.000 -0.000) 0.000 13.998 ( -0.000 0.000 0.000) 0.000 14.783 ( -0.000 0.000 0.000) 0.000 18.769 ( -0.000 0.000 0.000) 0.000 20.867 ( -0.000 0.000 0.000) 0.000 21.062 ( -0.000 0.000 -0.000) 0.000 21.289 ( -0.000 0.000 0.000) 0.000 23.458 ( -0.000 0.000 0.000) 0.000 23.639 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -0.000 51.180) 51.180 0.982 ( 0.000 -0.000 51.180) 51.180 1.231 ( 0.000 -0.000 64.258) 64.258 5.988 ( 0.000 -0.000 3.221) 3.221 5.988 ( 0.000 -0.000 3.221) 3.221 7.135 ( -0.000 0.000 -12.311) 12.311 7.135 ( -0.000 0.000 -12.311) 12.311 7.640 ( 0.000 -0.000 10.056) 10.056 7.640 ( 0.000 -0.000 10.056) 10.056 8.976 ( -0.000 0.000 -6.893) 6.893 9.389 ( -0.000 0.000 -19.646) 19.646 10.256 ( 0.000 -0.000 24.477) 24.477 11.064 ( -0.000 0.000 -9.656) 9.656 12.632 ( 0.000 0.000 -0.458) 0.458 12.632 ( -0.000 0.000 -0.458) 0.458 12.694 ( 0.000 -0.000 0.946) 0.946 13.576 ( 0.000 0.000 -0.823) 0.823 13.576 ( -0.000 0.000 -0.823) 0.823 18.724 ( 0.000 -0.000 7.504) 7.504 18.724 ( 0.000 -0.000 7.504) 7.504 21.692 ( -0.000 0.000 -4.121) 4.121 21.692 ( -0.000 0.000 -4.121) 4.121 23.916 ( 0.000 -0.000 0.524) 0.524 24.298 ( -0.000 0.000 -0.753) 0.753 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 6.815 3.934 26.692) 27.828 1.873 ( 28.825 16.642 46.995) 57.588 2.139 ( 28.212 16.288 56.378) 65.113 5.931 ( -4.150 -2.396 1.972) 5.182 6.133 ( 5.402 3.119 3.671) 7.238 7.053 ( -0.045 -0.026 -12.111) 12.111 7.168 ( 7.941 4.585 -14.998) 17.579 7.605 ( -4.748 -2.741 16.317) 17.213 7.634 ( -5.419 -3.128 6.821) 9.256 8.865 ( -26.614 -15.365 4.739) 31.094 8.900 ( -2.073 -1.197 -8.176) 8.520 10.278 ( -0.200 -0.116 24.074) 24.075 10.957 ( -3.228 -1.864 -12.056) 12.619 12.534 ( -6.413 -3.703 -2.339) 7.766 12.755 ( 1.926 1.112 3.810) 4.411 13.304 ( 35.921 20.739 -30.263) 51.345 13.526 ( -2.559 -1.477 -2.140) 3.648 13.636 ( 4.203 2.427 0.240) 4.860 18.755 ( 1.449 0.837 6.701) 6.907 18.877 ( 5.315 3.069 12.394) 13.830 21.298 ( -23.708 -13.688 16.868) 32.155 21.605 ( -4.167 -2.406 -6.318) 7.942 23.928 ( 0.760 0.439 0.450) 0.987 24.388 ( 5.542 3.200 -8.951) 11.003 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 39.413 22.755 -8.139) 46.233 2.817 ( 29.504 17.034 42.546) 54.505 3.100 ( 26.764 15.452 50.261) 59.003 5.854 ( -3.181 -1.836 1.632) 4.019 6.244 ( 1.349 0.779 8.579) 8.719 6.953 ( -3.003 -1.734 -10.260) 10.830 7.195 ( 1.231 0.711 -13.000) 13.078 7.471 ( -11.042 -6.375 -0.702) 12.769 7.747 ( 9.744 5.626 8.895) 14.343 8.424 ( -16.763 -9.678 9.857) 21.721 8.796 ( -2.671 -1.542 -7.334) 7.956 10.495 ( 6.819 3.937 15.851) 17.699 10.771 ( -6.004 -3.467 -13.558) 15.228 12.347 ( -8.414 -4.858 -3.441) 10.308 12.806 ( -0.086 -0.050 5.663) 5.664 13.430 ( -4.421 -2.552 -2.822) 5.833 13.711 ( 18.101 10.451 -23.467) 31.426 13.758 ( 5.767 3.330 2.179) 7.007 18.869 ( 5.114 2.952 5.527) 8.088 19.113 ( 7.607 4.392 16.073) 18.316 20.962 ( -16.809 -9.705 16.630) 25.560 21.426 ( -7.574 -4.373 -8.524) 12.213 23.954 ( 1.445 0.834 -0.129) 1.674 24.408 ( 1.929 1.114 -9.197) 9.463 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 45.677 26.372 -17.958) 55.717 3.709 ( 26.998 15.587 37.410) 48.697 3.953 ( 22.475 12.976 43.458) 50.617 5.823 ( -0.595 -0.344 2.253) 2.355 6.304 ( -1.606 -0.927 10.472) 10.635 6.776 ( -8.159 -4.711 -6.580) 11.491 7.048 ( -6.271 -3.620 -15.174) 16.813 7.139 ( -15.209 -8.781 -9.416) 19.927 8.043 ( 6.078 3.509 12.967) 14.745 8.307 ( 5.613 3.241 5.320) 8.385 8.682 ( -3.837 -2.215 -7.031) 8.311 10.520 ( -8.505 -4.911 -14.268) 17.321 10.755 ( 8.485 4.899 11.330) 14.979 12.120 ( -9.704 -5.602 -3.959) 11.884 12.832 ( -0.828 -0.478 6.818) 6.885 13.293 ( -5.993 -3.460 -3.152) 7.604 13.889 ( 9.949 5.744 -16.480) 20.088 13.911 ( 5.717 3.301 4.794) 8.158 19.048 ( 7.981 4.608 4.173) 10.117 19.416 ( 9.559 5.519 18.148) 21.241 20.721 ( -13.888 -8.018 13.830) 21.177 21.160 ( -10.662 -6.156 -10.794) 16.373 23.990 ( 2.147 1.240 -1.045) 2.690 24.372 ( -0.084 -0.049 -7.977) 7.977 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 45.444 26.237 -19.990) 56.153 4.461 ( 20.136 11.625 28.721) 36.952 4.633 ( 15.537 8.970 33.671) 38.152 5.851 ( 1.037 0.599 3.827) 4.010 6.293 ( -4.186 -2.417 5.744) 7.507 6.508 ( -13.083 -7.554 -2.012) 15.241 6.710 ( -15.131 -8.736 -14.046) 22.418 6.764 ( -9.669 -5.582 -12.217) 16.550 8.182 ( 1.072 0.619 18.275) 18.317 8.517 ( -6.487 -3.745 -9.285) 11.930 8.689 ( 21.789 12.580 0.589) 25.166 10.212 ( -10.959 -6.327 -13.982) 18.858 11.016 ( 9.056 5.228 9.085) 13.852 11.865 ( -10.494 -6.059 -4.626) 12.971 12.867 ( -0.117 -0.068 8.206) 8.207 13.128 ( -6.820 -3.937 -3.336) 8.552 13.967 ( 5.454 3.149 -12.307) 13.824 14.066 ( 4.648 2.683 7.241) 9.013 19.271 ( 9.751 5.630 2.955) 11.641 19.763 ( 10.830 6.253 18.488) 22.321 20.504 ( -12.992 -7.501 12.158) 19.310 20.817 ( -13.111 -7.570 -13.022) 19.969 24.038 ( 2.996 1.730 -2.002) 3.997 24.310 ( -1.228 -0.709 -6.528) 6.680 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( 41.036 23.692 -18.695) 50.939 4.873 ( 3.128 1.806 8.239) 8.996 5.001 ( 2.087 1.205 11.884) 12.126 5.869 ( -6.064 -3.501 8.243) 10.816 6.190 ( -12.698 -7.331 0.366) 14.667 6.216 ( -2.636 -1.522 1.506) 3.396 6.401 ( -2.937 -1.696 -5.909) 6.813 6.543 ( -5.813 -3.356 1.389) 6.854 8.271 ( -9.021 -5.208 -12.992) 16.652 8.347 ( 3.795 2.191 14.915) 15.546 9.203 ( 22.621 13.060 2.328) 26.224 9.855 ( -13.406 -7.740 -12.470) 19.878 11.278 ( 9.540 5.508 8.274) 13.777 11.596 ( -10.647 -6.147 -5.418) 13.435 12.936 ( 1.355 0.783 9.545) 9.672 12.954 ( -6.595 -3.808 -3.473) 8.370 13.985 ( 2.475 1.429 -9.674) 10.087 14.205 ( 3.088 1.783 8.950) 9.634 19.511 ( 10.013 5.781 1.905) 11.717 20.097 ( 4.884 2.820 17.435) 18.325 20.316 ( -6.679 -3.856 10.973) 13.412 20.419 ( -14.230 -8.216 -14.659) 22.020 24.101 ( 3.986 2.301 -2.788) 5.381 24.239 ( -1.803 -1.041 -5.047) 5.460 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.621 ( -3.440 -1.986 -18.074) 18.505 4.669 ( -16.045 -9.264 -17.912) 25.770 5.058 ( 22.806 13.167 -13.479) 29.584 5.548 ( -26.914 -15.539 17.110) 35.476 6.073 ( 0.131 0.076 -1.172) 1.182 6.221 ( -1.872 -1.081 7.087) 7.409 6.537 ( 10.936 6.314 7.966) 14.930 6.570 ( 5.594 3.230 11.651) 13.322 7.966 ( -9.455 -5.459 -15.847) 19.244 8.522 ( 4.229 2.442 10.673) 11.738 9.458 ( -15.618 -9.017 -9.961) 20.602 9.709 ( 20.636 11.914 3.189) 24.040 11.325 ( -10.276 -5.933 -5.771) 13.195 11.548 ( 9.916 5.725 8.023) 13.981 12.797 ( -5.260 -3.037 -3.636) 7.079 13.046 ( 2.766 1.597 10.076) 10.570 13.961 ( 0.403 0.233 -7.605) 7.620 14.315 ( 1.372 0.792 9.761) 9.889 19.700 ( 3.762 2.172 -2.968) 5.261 19.988 ( -14.603 -8.431 12.435) 20.951 20.043 ( -8.499 -4.907 -11.126) 14.836 20.547 ( 11.904 6.873 12.674) 18.697 24.168 ( -2.012 -1.161 -3.708) 4.376 24.181 ( 4.922 2.842 -3.402) 6.624 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( -23.759 -13.717 -30.074) 40.708 4.062 ( -24.875 -14.362 -28.157) 40.222 4.978 ( -35.381 -20.427 25.154) 47.977 5.602 ( 22.899 13.221 -6.990) 27.350 6.093 ( 1.512 0.873 0.093) 1.748 6.229 ( 2.781 1.605 2.003) 3.785 6.838 ( 10.033 5.792 4.126) 12.297 6.868 ( 11.302 6.525 14.333) 19.384 7.689 ( -5.364 -3.097 -13.896) 15.214 8.662 ( 3.255 1.879 6.591) 7.587 9.035 ( -17.200 -9.930 -6.875) 21.017 10.155 ( 17.365 10.026 2.762) 20.241 11.063 ( -10.070 -5.814 -5.265) 12.764 11.820 ( 9.896 5.713 7.333) 13.577 12.679 ( -3.115 -1.799 -3.612) 5.098 13.181 ( 3.601 2.079 9.381) 10.262 13.911 ( -1.068 -0.617 -5.732) 5.863 14.390 ( -0.179 -0.103 9.776) 9.778 19.480 ( -11.960 -6.905 -15.256) 20.578 19.719 ( -15.832 -9.141 11.197) 21.438 20.069 ( 7.482 4.319 1.638) 8.793 20.886 ( 11.678 6.742 9.832) 16.689 24.102 ( -2.045 -1.181 -2.634) 3.538 24.275 ( 5.530 3.193 -4.017) 7.544 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -29.960 -17.298 -31.236) 46.610 3.260 ( -28.205 -16.284 -35.349) 48.065 4.294 ( -41.925 -24.206 32.433) 58.271 5.851 ( 1.839 1.062 4.401) 4.886 6.143 ( 2.169 1.253 3.466) 4.276 6.482 ( 19.359 11.177 -6.017) 23.150 6.937 ( 0.469 0.271 -12.474) 12.486 7.193 ( 9.593 5.538 11.044) 15.642 7.635 ( 5.972 3.448 -4.074) 8.009 8.613 ( -17.384 -10.036 -2.308) 20.205 8.754 ( 2.447 1.413 3.178) 4.252 10.518 ( 13.833 7.987 1.521) 16.046 10.802 ( -10.801 -6.236 -3.841) 13.050 12.076 ( 9.286 5.361 4.941) 11.806 12.615 ( -0.807 -0.466 -2.503) 2.671 13.318 ( 3.701 2.137 7.509) 8.640 13.842 ( -2.209 -1.276 -4.137) 4.861 14.433 ( -1.202 -0.694 8.889) 8.996 19.128 ( -10.350 -5.975 -14.169) 18.536 19.432 ( -15.636 -9.027 10.143) 20.709 20.252 ( 6.924 3.997 3.267) 8.637 21.186 ( 10.293 5.943 6.557) 13.574 24.043 ( -1.999 -1.154 -1.815) 2.936 24.373 ( 5.630 3.251 -4.851) 8.112 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -32.866 -18.975 -29.781) 48.240 2.355 ( -31.972 -18.459 -36.411) 51.852 3.522 ( -47.056 -27.168 38.841) 66.790 5.880 ( -0.736 -0.425 6.092) 6.151 6.248 ( 3.814 2.202 9.301) 10.291 6.788 ( -2.673 -1.543 -18.764) 19.017 6.884 ( 18.259 10.542 -5.202) 21.716 7.404 ( 3.688 2.130 7.029) 8.219 7.769 ( 5.310 3.065 -11.815) 13.311 8.291 ( -10.217 -5.899 10.266) 15.639 8.827 ( 3.265 1.885 0.722) 3.838 10.527 ( -12.358 -7.135 -1.342) 14.333 10.794 ( 10.526 6.077 -0.322) 12.159 12.288 ( 8.121 4.689 -0.274) 9.381 12.612 ( 0.931 0.538 1.160) 1.582 13.436 ( 3.197 1.846 4.863) 6.106 13.760 ( -3.090 -1.784 -3.022) 4.676 14.448 ( -1.674 -0.967 5.397) 5.733 18.856 ( -6.808 -3.931 -10.416) 13.050 19.159 ( -13.996 -8.080 9.192) 18.592 20.412 ( 4.912 2.836 5.658) 8.012 21.426 ( 8.279 4.780 3.454) 10.164 23.990 ( -1.827 -1.055 -1.128) 2.392 24.461 ( 5.195 2.999 -6.185) 8.616 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -34.053 -19.660 -29.318) 49.047 1.428 ( -33.885 -19.564 -21.714) 44.749 2.692 ( -50.578 -29.201 44.771) 73.589 5.918 ( 0.773 0.446 5.656) 5.726 6.373 ( 0.420 0.243 -2.962) 3.002 6.697 ( 4.694 2.710 4.193) 6.853 7.193 ( 11.692 6.750 -7.387) 15.389 7.458 ( -1.496 -0.864 7.534) 7.730 7.600 ( -8.511 -4.914 -17.027) 19.659 8.379 ( 7.123 4.112 15.896) 17.898 8.911 ( 4.245 2.451 -1.432) 5.107 10.242 ( -13.126 -7.578 3.260) 15.503 10.983 ( 7.212 4.164 -2.986) 8.847 12.436 ( 6.892 3.979 -5.151) 9.480 12.662 ( 1.285 0.742 5.047) 5.260 13.520 ( 2.292 1.323 1.920) 3.270 13.670 ( -3.289 -1.899 -2.333) 4.457 14.395 ( -4.045 -2.336 -8.750) 9.919 18.697 ( -3.012 -1.739 -4.833) 5.954 18.933 ( -10.967 -6.332 8.491) 15.247 20.566 ( 4.336 2.504 14.978) 15.793 21.597 ( 5.728 3.307 0.667) 6.648 23.948 ( -1.428 -0.824 -0.462) 1.712 24.519 ( 3.989 2.303 -8.866) 9.991 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 -4.984 43.573) 43.857 1.458 ( 0.000 -11.861 52.085) 53.418 2.838 ( 0.000 53.389 52.367) 74.784 6.043 ( -0.000 3.308 -0.135) 3.310 6.103 ( 0.000 2.132 9.051) 9.298 6.982 ( -0.000 -0.831 -14.782) 14.805 7.029 ( -0.000 4.728 -13.370) 14.181 7.595 ( 0.000 -14.856 13.645) 20.172 7.719 ( 0.000 -4.421 7.101) 8.365 8.844 ( -0.000 -1.314 -9.780) 9.868 8.919 ( 0.000 -18.197 -3.065) 18.454 10.441 ( 0.000 -3.609 24.821) 25.082 10.873 ( -0.000 -3.522 -14.442) 14.865 12.480 ( 0.000 -9.722 -2.657) 10.079 12.774 ( -0.000 3.625 2.853) 4.613 13.182 ( -0.000 36.283 -17.560) 40.309 13.556 ( -0.000 1.486 -2.521) 2.926 13.618 ( -0.000 6.015 -1.786) 6.274 18.765 ( 0.000 -3.674 9.198) 9.905 18.997 ( 0.000 10.314 14.220) 17.567 21.372 ( 0.000 -18.367 5.948) 19.307 21.618 ( -0.000 -1.830 -5.500) 5.797 23.928 ( 0.000 0.299 0.500) 0.582 24.293 ( -0.000 -1.017 -6.125) 6.209 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.691 12.608 23.406) 26.639 2.295 ( 44.018 -11.668 46.500) 65.084 3.689 ( 2.889 49.760 47.451) 68.818 5.957 ( -7.898 1.319 2.274) 8.324 6.283 ( 4.792 3.285 10.747) 12.217 6.871 ( 1.271 -5.741 -13.964) 15.152 7.024 ( 4.141 1.827 -17.185) 17.771 7.501 ( -4.645 -13.211 7.816) 16.038 7.720 ( 3.559 -3.483 6.081) 7.860 8.644 ( -12.469 -9.779 2.442) 16.034 8.768 ( -1.197 -0.004 -8.279) 8.365 10.573 ( 1.592 1.156 19.046) 19.147 10.711 ( -2.848 -4.830 -15.813) 16.778 12.348 ( -2.688 -9.887 -2.537) 10.555 12.832 ( 0.430 1.607 3.730) 4.084 13.457 ( 4.900 8.954 -8.144) 13.058 13.511 ( -0.072 12.253 -8.163) 14.723 13.747 ( 4.998 11.346 -3.544) 12.895 18.823 ( 4.081 -3.357 9.190) 10.601 19.229 ( 2.426 12.531 16.720) 21.035 21.176 ( -9.411 -12.469 9.124) 18.091 21.478 ( -8.196 -2.089 -7.293) 11.168 23.939 ( 0.820 0.025 -0.063) 0.823 24.271 ( 4.730 -4.182 -8.022) 10.208 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 30.120 24.298 -1.988) 38.750 3.204 ( 43.567 -12.195 42.415) 62.015 4.466 ( 2.108 42.512 40.080) 58.465 5.878 ( -4.166 0.668 2.929) 5.136 6.411 ( -1.855 1.509 11.380) 11.629 6.704 ( 0.857 -14.735 -14.211) 20.489 6.926 ( -2.751 -4.504 -12.847) 13.889 7.282 ( -11.426 -4.587 -4.803) 13.216 7.909 ( 15.757 -0.021 5.617) 16.728 8.419 ( -9.264 -2.508 6.623) 11.661 8.694 ( -3.096 1.243 -6.624) 7.417 10.485 ( -5.428 -6.044 -16.329) 18.238 10.760 ( 5.607 2.618 13.767) 15.094 12.169 ( -6.231 -8.179 -2.412) 10.562 12.862 ( -0.166 -0.765 4.476) 4.544 13.359 ( -6.787 -1.321 -2.851) 7.479 13.732 ( 8.115 13.573 -8.678) 18.039 13.920 ( 4.266 11.137 -1.909) 12.078 18.952 ( 7.946 -2.533 8.364) 11.812 19.523 ( 4.030 13.653 18.171) 23.083 20.956 ( -12.459 -8.321 11.395) 18.823 21.230 ( -11.427 -3.141 -10.366) 15.745 23.955 ( 1.752 -0.241 -1.116) 2.091 24.253 ( 4.621 -4.957 -8.655) 10.992 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 40.081 26.982 -13.241) 50.098 4.035 ( 38.381 -11.525 36.882) 54.463 5.028 ( -2.594 25.581 24.863) 35.768 5.876 ( -0.096 1.431 4.983) 5.185 6.320 ( -2.002 -12.002 -9.846) 15.652 6.516 ( -4.164 -8.201 3.145) 9.720 6.726 ( -10.061 -3.882 -1.770) 10.928 6.976 ( -16.192 1.886 -12.206) 20.365 8.232 ( 12.288 -2.180 11.302) 16.837 8.394 ( 3.431 0.295 0.327) 3.459 8.624 ( -0.719 6.972 -5.308) 8.792 10.207 ( -7.770 -7.012 -16.015) 19.132 10.980 ( 8.099 2.888 10.745) 13.762 11.952 ( -9.319 -5.953 -3.205) 11.513 12.881 ( 0.950 -2.831 5.753) 6.482 13.198 ( -7.786 -2.670 -2.509) 8.605 13.906 ( 3.229 12.923 -7.942) 15.508 14.082 ( 3.996 7.277 3.564) 9.035 19.141 ( 10.874 -1.561 7.292) 13.185 19.851 ( 5.232 13.584 18.188) 23.296 20.739 ( -13.784 -6.970 12.462) 19.846 20.908 ( -13.824 -3.550 -13.259) 19.481 23.980 ( 2.921 -0.333 -2.365) 3.773 24.220 ( 3.320 -4.606 -7.986) 9.799 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( 41.742 26.081 -17.113) 52.110 4.691 ( 24.634 -8.332 25.066) 36.119 5.048 ( -8.245 -12.601 -5.974) 16.201 5.937 ( -0.043 0.845 6.146) 6.204 6.248 ( 1.066 -0.242 -0.020) 1.093 6.353 ( -9.927 -1.669 7.982) 12.847 6.477 ( -12.926 1.423 -7.711) 15.118 6.707 ( -11.947 1.366 2.683) 12.321 8.281 ( -6.450 -5.803 -10.572) 13.676 8.407 ( 2.110 1.438 13.764) 13.999 8.944 ( 22.467 11.244 0.018) 25.124 9.889 ( -9.977 -7.692 -14.399) 19.132 11.221 ( 9.552 3.048 9.309) 13.682 11.704 ( -11.490 -3.703 -4.739) 12.969 12.917 ( 2.666 -4.753 6.420) 8.421 13.026 ( -7.074 -3.458 -1.014) 7.939 13.990 ( -1.569 11.922 -6.998) 13.913 14.240 ( 3.436 5.017 7.174) 9.405 19.371 ( 12.288 -0.687 6.274) 13.814 20.170 ( 4.438 9.126 15.813) 18.789 20.497 ( -13.907 -5.050 2.181) 14.955 20.565 ( -14.717 -2.058 -3.595) 15.288 24.019 ( 4.323 -0.158 -3.534) 5.586 24.177 ( 1.993 -3.796 -6.724) 7.975 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 20.022 3.007 -20.652) 28.921 4.575 ( 6.218 -9.779 -20.198) 23.286 5.001 ( -3.496 1.000 1.744) 4.033 5.888 ( -15.275 -8.734 12.992) 21.873 6.074 ( -2.372 -3.618 -0.260) 4.334 6.258 ( -1.015 -0.933 0.074) 1.381 6.506 ( -2.458 3.080 9.476) 10.263 6.678 ( 0.797 9.540 11.641) 15.072 8.004 ( -10.510 -3.831 -12.538) 16.803 8.550 ( 2.941 2.432 10.437) 11.112 9.410 ( 15.954 1.515 -4.688) 16.697 9.577 ( -4.211 -0.569 -6.244) 7.553 11.432 ( -8.762 -1.855 -4.274) 9.923 11.484 ( 6.872 2.850 6.857) 10.118 12.837 ( -6.046 -3.852 -2.015) 7.446 13.013 ( 5.278 -5.685 8.923) 11.823 14.006 ( -4.399 9.978 -5.058) 12.021 14.376 ( 1.587 3.924 8.191) 9.220 19.597 ( 9.821 -0.721 4.023) 10.638 20.058 ( -12.140 -8.596 -6.854) 16.379 20.289 ( -16.151 -2.759 6.878) 17.770 20.575 ( 5.533 12.008 12.483) 18.184 24.078 ( 5.715 0.249 -4.536) 7.301 24.130 ( 0.886 -2.784 -5.305) 6.056 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -13.543 -35.191 -28.453) 47.237 4.590 ( -30.993 11.584 -21.554) 39.488 5.192 ( 30.607 14.995 -12.984) 36.472 5.503 ( -25.579 -12.655 20.513) 35.145 6.069 ( 0.926 -0.953 1.113) 1.734 6.302 ( -1.561 0.252 7.495) 7.660 6.622 ( 13.504 -4.084 11.778) 18.379 6.876 ( 3.697 4.413 3.339) 6.655 7.754 ( -8.758 3.567 -9.027) 13.073 8.671 ( 2.143 1.558 7.115) 7.593 9.147 ( -12.902 -9.572 -9.821) 18.830 9.940 ( 20.159 8.607 1.259) 21.956 11.180 ( -12.126 -0.902 -6.215) 13.656 11.733 ( 10.757 2.069 7.521) 13.287 12.703 ( -4.512 -2.599 -1.553) 5.434 13.122 ( 7.578 -6.327 8.892) 13.286 13.977 ( -5.975 7.742 -3.221) 10.297 14.470 ( -0.405 2.812 7.800) 8.301 19.526 ( -11.902 -6.161 -10.856) 17.247 19.966 ( 8.114 -1.132 5.544) 9.892 20.018 ( -17.375 -4.733 8.762) 20.026 20.871 ( 7.468 10.107 9.802) 15.937 24.085 ( -0.037 -1.817 -4.015) 4.407 24.158 ( 6.727 0.886 -5.431) 8.691 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -17.331 -33.880 -26.450) 46.344 3.904 ( -42.837 13.456 -30.443) 54.248 4.934 ( -35.130 -19.814 29.075) 49.720 5.761 ( 16.289 8.362 -2.316) 18.456 6.122 ( 8.543 2.876 -0.899) 9.059 6.344 ( 0.589 6.623 4.334) 7.937 6.836 ( 0.252 -2.375 -11.491) 11.736 6.970 ( 18.253 -9.237 11.313) 23.377 7.714 ( -2.651 13.366 -1.870) 13.754 8.699 ( -5.678 -7.146 1.313) 9.221 8.816 ( -7.602 -1.662 -2.772) 8.261 10.329 ( 17.122 6.326 -0.401) 18.258 10.934 ( -12.196 -0.815 -4.768) 13.120 11.966 ( 10.618 0.715 4.360) 11.500 12.625 ( -2.069 -0.889 0.307) 2.273 13.250 ( 8.204 -5.638 7.340) 12.368 13.917 ( -6.720 5.197 -1.845) 8.693 14.515 ( -1.903 1.437 6.005) 6.462 19.178 ( -12.516 -4.610 -11.686) 17.733 19.722 ( -18.451 -5.815 10.239) 21.888 20.169 ( 9.803 -0.117 7.196) 12.161 21.135 ( 7.988 6.995 6.170) 12.281 24.042 ( -0.840 -0.955 -2.883) 3.151 24.250 ( 7.057 1.674 -6.406) 9.677 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -22.436 -24.720 -17.437) 37.663 3.065 ( -48.523 14.407 -33.157) 60.510 4.282 ( -42.603 -22.506 36.632) 60.527 5.879 ( 1.365 -4.827 5.856) 7.711 6.357 ( 1.258 10.858 9.595) 14.545 6.591 ( 19.963 8.685 -9.565) 23.779 6.669 ( -0.504 -5.733 -12.605) 13.856 7.254 ( 14.952 -5.811 5.445) 16.940 7.806 ( -2.643 13.982 -5.347) 15.201 8.421 ( -9.973 -9.925 3.494) 14.497 8.808 ( 0.918 1.128 0.589) 1.570 10.630 ( 13.619 4.131 -2.597) 14.467 10.691 ( -12.925 -1.377 -1.608) 13.097 12.152 ( 9.765 0.204 -1.216) 9.842 12.622 ( 0.399 0.035 4.071) 4.091 13.374 ( 7.314 -3.923 4.734) 9.555 13.831 ( -6.846 2.657 -1.055) 7.419 14.506 ( -3.024 -0.452 1.545) 3.426 18.898 ( -9.235 -1.417 -8.427) 12.582 19.425 ( -17.552 -6.009 10.271) 21.206 20.367 ( 8.099 -0.793 9.552) 12.548 21.349 ( 8.013 3.613 2.517) 9.143 24.002 ( -1.404 -0.301 -1.885) 2.370 24.342 ( 6.462 2.770 -7.512) 10.289 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -26.890 -0.587 4.924) 27.343 2.156 ( -51.538 14.770 -30.991) 61.926 3.546 ( -47.768 -24.003 42.703) 68.421 5.893 ( 2.464 -5.474 5.582) 8.197 6.369 ( -4.705 -2.851 -8.454) 10.087 6.715 ( 6.724 9.474 15.085) 19.040 6.964 ( 17.686 7.272 -8.369) 20.874 7.388 ( 6.376 -5.706 -3.045) 9.082 7.748 ( -12.090 10.263 -8.457) 17.972 8.337 ( 4.637 -7.632 11.226) 14.345 8.849 ( 3.277 0.666 -1.680) 3.742 10.452 ( -13.860 -1.637 3.320) 14.346 10.839 ( 10.318 2.140 -5.257) 11.776 12.291 ( 8.934 1.240 -5.344) 10.484 12.677 ( 1.665 -0.445 6.792) 7.008 13.472 ( 5.337 -2.273 1.519) 5.996 13.731 ( -6.350 1.240 -0.668) 6.504 14.398 ( -6.241 -3.369 -9.194) 11.611 18.741 ( -5.424 2.181 -3.221) 6.674 19.159 ( -15.019 -5.494 10.527) 19.146 20.561 ( 8.178 -1.949 14.985) 17.182 21.503 ( 7.407 0.241 -0.892) 7.464 23.966 ( -1.597 0.141 -0.948) 1.862 24.419 ( 4.704 4.277 -8.863) 10.908 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 2.714 34.999) 35.105 1.908 ( 0.000 -5.603 44.019) 44.375 4.432 ( 0.000 47.035 42.899) 63.660 6.102 ( -0.000 2.924 0.355) 2.946 6.310 ( 0.000 3.464 13.025) 13.478 6.633 ( -0.000 -14.323 -19.477) 24.176 6.942 ( -0.000 2.251 -10.839) 11.070 7.487 ( 0.000 -12.037 11.169) 16.420 7.633 ( 0.000 -6.534 -2.053) 6.849 8.661 ( 0.000 -7.786 0.135) 7.787 8.741 ( -0.000 2.273 -6.592) 6.972 10.578 ( -0.000 -5.823 -16.978) 17.949 10.670 ( 0.000 -1.608 16.407) 16.485 12.257 ( 0.000 -9.114 -1.880) 9.306 12.877 ( 0.000 2.713 3.056) 4.087 13.502 ( -0.000 12.887 -2.970) 13.225 13.569 ( -0.000 3.513 -3.126) 4.703 13.810 ( -0.000 20.057 -8.409) 21.749 18.810 ( 0.000 -4.591 10.336) 11.310 19.458 ( 0.000 15.311 18.049) 23.669 21.176 ( 0.000 -9.065 3.577) 9.746 21.498 ( -0.000 -2.821 -5.687) 6.348 23.926 ( 0.000 -0.934 -0.541) 1.079 24.120 ( -0.000 -7.312 -6.831) 10.006 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.480 13.158 19.529) 23.553 2.664 ( 39.055 -8.653 41.673) 57.766 5.101 ( -1.331 39.432 34.107) 52.153 6.009 ( -8.349 -0.412 1.059) 8.426 6.321 ( 3.772 -23.018 -23.080) 32.813 6.537 ( 2.507 4.995 15.848) 16.805 6.893 ( -0.837 0.967 -6.926) 7.043 7.369 ( -7.089 -5.400 -0.504) 8.926 7.665 ( 11.335 -5.529 1.255) 12.674 8.552 ( -5.783 -3.244 2.396) 7.051 8.720 ( -1.717 3.109 -5.146) 6.253 10.386 ( -2.825 -6.441 -17.070) 18.462 10.770 ( 3.643 -2.103 12.539) 13.226 12.149 ( -2.398 -7.518 -0.933) 7.946 12.903 ( -1.474 1.395 2.628) 3.320 13.464 ( -7.830 2.014 -2.198) 8.378 13.720 ( 7.257 11.484 -0.533) 13.595 13.979 ( 1.837 19.025 -6.961) 20.341 18.868 ( 4.507 -4.718 10.204) 12.112 19.743 ( 1.514 16.347 18.578) 24.792 21.080 ( -5.092 -5.861 3.565) 8.544 21.345 ( -10.029 -2.510 -6.135) 12.022 23.914 ( 0.989 -1.807 -1.490) 2.543 24.046 ( 5.068 -8.250 -7.276) 12.111 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 24.662 22.109 -0.506) 33.125 3.497 ( 40.347 -11.510 39.242) 57.448 5.373 ( -9.948 -1.384 -2.567) 10.367 5.974 ( -0.675 7.425 12.524) 14.575 6.073 ( 3.557 -7.667 -10.171) 13.225 6.632 ( -5.456 -0.122 11.452) 12.686 6.861 ( -4.811 2.984 3.569) 6.693 7.153 ( -11.777 0.809 -9.909) 15.412 7.914 ( 20.802 -3.279 2.738) 21.236 8.473 ( -4.409 -0.377 5.418) 6.995 8.675 ( -2.787 3.948 -5.795) 7.546 10.145 ( -5.424 -6.904 -16.336) 18.546 10.918 ( 7.843 -1.847 9.819) 12.702 12.013 ( -5.935 -5.188 -0.969) 7.942 12.894 ( -1.733 -0.540 2.661) 3.221 13.310 ( -9.400 -0.276 -2.183) 9.654 13.957 ( 5.916 12.795 0.872) 14.123 14.132 ( 1.038 14.190 -3.277) 14.601 18.998 ( 8.655 -4.397 9.506) 13.587 20.049 ( 2.287 15.822 17.729) 23.872 20.944 ( -8.543 -3.701 4.463) 10.324 21.057 ( -15.717 -2.465 -6.968) 17.369 23.907 ( 2.252 -2.324 -2.647) 4.181 24.023 ( 6.529 -7.482 -7.420) 12.396 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 35.957 24.763 -12.032) 45.287 4.263 ( 35.591 -11.934 33.502) 50.314 4.893 ( -9.748 -30.512 -24.417) 40.276 5.989 ( -1.292 1.141 3.185) 3.621 6.249 ( 1.452 5.689 4.065) 7.141 6.593 ( -6.674 4.042 15.683) 17.517 6.714 ( -17.236 4.834 -8.809) 19.951 6.950 ( -10.357 3.778 4.558) 11.929 8.192 ( 7.901 -3.513 -3.912) 9.491 8.469 ( 1.226 -0.755 11.939) 12.025 8.723 ( 10.030 7.749 -6.059) 14.049 9.869 ( -7.462 -7.014 -14.507) 17.757 11.117 ( 10.669 -1.336 8.365) 13.623 11.834 ( -9.740 -2.161 -2.635) 10.319 12.881 ( 0.079 -2.961 3.678) 4.723 13.125 ( -9.494 -2.145 -1.497) 9.848 14.141 ( -1.448 15.782 -1.452) 15.915 14.266 ( 3.753 6.984 2.960) 8.463 19.189 ( 11.819 -3.905 8.676) 15.173 20.323 ( 0.429 11.032 13.191) 17.202 20.710 ( -15.524 1.341 -10.224) 18.636 20.783 ( -12.050 -3.711 9.915) 16.040 23.915 ( 3.814 -2.270 -3.699) 5.777 24.019 ( 5.815 -5.793 -6.741) 10.621 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 33.428 18.422 -18.218) 42.293 4.230 ( -4.865 -27.546 -26.581) 38.587 4.893 ( 22.769 -8.575 24.436) 34.483 6.024 ( 0.488 1.795 3.542) 4.001 6.119 ( -11.712 -8.415 -0.242) 14.424 6.370 ( -15.270 4.083 -13.461) 20.762 6.709 ( -5.417 5.830 15.518) 17.439 6.897 ( -7.693 6.454 12.327) 15.900 8.064 ( -7.944 -2.829 -8.477) 11.957 8.609 ( 1.835 3.297 11.598) 12.196 9.062 ( 22.572 2.773 -5.827) 23.476 9.600 ( -6.600 -4.381 -9.518) 12.383 11.346 ( 11.651 -1.198 7.413) 13.861 11.616 ( -12.220 0.812 -4.727) 13.128 12.882 ( -0.472 -3.868 2.900) 4.857 12.952 ( -4.754 -4.687 1.445) 6.830 14.199 ( -6.419 13.327 -1.585) 14.877 14.421 ( 3.766 4.716 5.570) 8.213 19.418 ( 12.987 -3.527 7.784) 15.546 20.193 ( -16.628 -3.501 -9.215) 19.330 20.563 ( -13.277 -1.819 7.950) 15.581 20.722 ( 0.299 11.263 11.120) 15.830 23.947 ( 5.442 -1.571 -4.470) 7.216 24.018 ( 4.333 -3.774 -5.591) 8.018 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -13.315 -28.123 -24.420) 39.554 4.630 ( 36.806 19.507 -17.457) 45.166 5.050 ( -13.865 5.679 -5.085) 15.822 5.845 ( -12.585 -11.848 11.948) 21.012 6.065 ( 0.241 0.362 2.713) 2.748 6.206 ( 3.920 -3.737 0.912) 5.492 6.690 ( -8.497 1.087 14.862) 17.154 6.912 ( -3.943 0.536 2.084) 4.492 7.884 ( -6.948 3.927 -4.877) 9.353 8.725 ( 0.177 3.943 8.165) 9.069 9.131 ( -3.525 -9.261 -12.678) 16.091 9.684 ( 18.020 5.922 0.297) 18.971 11.365 ( -12.915 2.531 -6.034) 14.478 11.593 ( 11.302 -1.507 6.537) 13.143 12.766 ( -6.433 -1.949 -0.309) 6.729 12.968 ( 6.703 -7.823 6.082) 11.964 14.179 ( -8.204 9.466 -0.236) 12.528 14.537 ( 1.242 3.173 5.092) 6.127 19.582 ( -0.320 -3.387 0.370) 3.422 19.870 ( -3.798 -2.795 -4.775) 6.711 20.332 ( -16.816 -4.049 10.280) 20.121 20.935 ( 3.814 9.356 8.291) 13.070 24.009 ( 5.896 -0.561 -4.870) 7.667 24.021 ( 3.504 -1.520 -4.457) 5.870 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -17.392 -17.898 -14.942) 29.087 4.546 ( -37.665 13.946 -24.058) 46.818 5.234 ( 15.158 1.123 -4.500) 15.852 5.610 ( -7.066 0.640 12.462) 14.340 6.062 ( -0.894 -1.727 2.542) 3.201 6.380 ( 11.842 -3.436 7.135) 14.246 6.724 ( 3.668 -6.488 12.155) 14.258 6.783 ( -4.714 -1.740 -5.023) 7.105 7.863 ( -2.171 9.504 -1.100) 9.811 8.771 ( -5.694 -0.332 4.764) 7.432 8.863 ( -5.763 -5.465 -8.549) 11.668 10.065 ( 19.624 4.349 -1.461) 20.153 11.131 ( -13.540 3.274 -5.470) 14.965 11.800 ( 11.090 -2.587 4.328) 12.182 12.669 ( -3.571 -0.877 1.313) 3.904 13.066 ( 9.427 -7.567 5.351) 13.220 14.109 ( -9.076 5.739 0.764) 10.765 14.584 ( -1.131 0.913 3.098) 3.422 19.320 ( -15.336 -0.822 -9.208) 17.907 19.971 ( 4.000 -3.817 3.674) 6.638 20.085 ( -9.974 -4.242 13.728) 17.491 21.119 ( 5.195 4.738 4.157) 8.168 24.015 ( 1.030 -0.195 -3.220) 3.387 24.104 ( 7.318 1.533 -5.344) 9.190 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -21.457 0.695 1.560) 21.525 3.814 ( -45.762 16.940 -29.787) 57.170 4.938 ( -32.029 -18.515 29.434) 47.276 5.834 ( 5.101 0.073 1.157) 5.231 6.193 ( 20.115 9.646 -7.994) 23.698 6.547 ( -4.802 -8.171 -4.271) 10.396 6.571 ( 5.658 4.559 3.910) 8.252 6.965 ( 13.889 -4.772 9.285) 17.375 7.934 ( -0.253 9.505 -2.565) 9.848 8.525 ( -12.090 -6.458 -1.385) 13.777 8.820 ( -1.106 0.482 0.106) 1.211 10.386 ( 16.579 2.236 -3.941) 17.187 10.908 ( -13.462 2.702 -2.564) 13.968 11.967 ( 10.161 -2.304 -0.026) 10.419 12.647 ( -0.523 -0.597 4.163) 4.238 13.197 ( 10.196 -5.693 3.385) 12.159 14.001 ( -9.219 2.624 1.352) 9.680 14.551 ( -3.281 -1.915 -0.898) 3.904 19.039 ( -12.453 2.746 -6.716) 14.412 19.739 ( -18.237 -5.499 9.803) 21.423 20.243 ( 11.097 -3.771 10.294) 15.599 21.253 ( 6.619 -0.061 -0.071) 6.620 24.007 ( -0.395 0.887 -2.226) 2.428 24.216 ( 7.027 3.634 -5.734) 9.771 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -22.065 24.393 22.678) 39.952 2.989 ( -50.175 19.527 -30.208) 61.736 4.339 ( -41.058 -20.490 37.573) 59.307 5.843 ( 0.589 -4.144 3.140) 5.233 6.353 ( -3.732 -7.216 -3.678) 8.918 6.639 ( 22.695 8.520 -9.291) 25.961 6.799 ( 7.836 10.598 9.277) 16.118 7.159 ( 10.467 -6.192 1.230) 12.223 7.968 ( -4.057 8.840 -6.084) 11.473 8.303 ( -6.965 -6.856 5.555) 11.242 8.804 ( 0.505 -1.099 -1.667) 2.059 10.610 ( 12.116 0.316 -6.773) 13.884 10.706 ( -12.310 2.107 1.977) 12.645 12.105 ( 9.771 -0.758 -3.882) 10.541 12.684 ( 1.564 -1.081 6.594) 6.863 13.326 ( 8.612 -3.938 0.637) 9.491 13.878 ( -8.409 1.374 1.720) 8.692 14.413 ( -6.486 -4.749 -7.908) 11.277 18.882 ( -8.224 6.601 -2.174) 10.767 19.451 ( -17.393 -5.436 11.494) 21.545 20.453 ( 10.611 -4.944 12.420) 17.067 21.342 ( 7.823 -3.914 -3.829) 9.549 23.991 ( -1.349 1.379 -1.358) 2.359 24.331 ( 5.773 5.405 -6.390) 10.167 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.000 3.378 29.149) 29.344 2.328 ( 0.000 -4.344 36.420) 36.678 5.670 ( -0.000 33.418 23.713) 40.976 5.773 ( -0.000 -34.050 -30.662) 45.821 6.186 ( 0.000 3.369 5.962) 6.848 6.678 ( 0.000 7.994 17.653) 19.379 6.870 ( -0.000 0.528 -2.891) 2.939 7.408 ( 0.000 -6.885 5.154) 8.601 7.485 ( -0.000 -2.322 -6.478) 6.882 8.582 ( 0.000 -2.139 1.553) 2.643 8.737 ( -0.000 3.228 -4.829) 5.809 10.242 ( -0.000 -6.049 -16.554) 17.624 10.769 ( 0.000 -5.264 10.049) 11.345 12.104 ( 0.000 -5.487 0.145) 5.489 12.948 ( 0.000 1.461 1.561) 2.138 13.611 ( -0.000 4.387 -2.560) 5.079 13.693 ( -0.000 8.011 2.009) 8.259 14.128 ( -0.000 21.274 -5.941) 22.088 18.846 ( 0.000 -5.476 10.531) 11.870 20.012 ( 0.000 16.924 18.338) 24.954 21.086 ( 0.000 -2.910 -0.057) 2.911 21.379 ( -0.000 -2.148 -4.913) 5.362 23.870 ( 0.000 -3.137 -2.124) 3.789 23.870 ( 0.000 -9.400 -5.823) 11.058 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.905 10.094 15.373) 18.412 2.992 ( 35.062 -9.278 36.469) 51.433 5.166 ( -5.270 -36.150 -31.448) 48.204 6.032 ( 1.507 11.223 0.640) 11.342 6.245 ( -5.215 12.338 15.241) 20.291 6.804 ( -4.573 1.540 12.989) 13.856 6.969 ( 3.510 8.097 9.548) 13.002 7.274 ( -8.269 1.072 -6.469) 10.553 7.582 ( 14.653 -3.967 1.242) 15.231 8.555 ( -2.852 -0.948 3.106) 4.322 8.712 ( -1.908 2.487 -5.991) 6.761 10.058 ( -3.390 -5.497 -15.064) 16.390 10.818 ( 5.731 -5.809 8.119) 11.512 12.040 ( -2.696 -3.730 0.569) 4.638 12.946 ( -2.218 0.689 0.714) 2.430 13.489 ( -11.580 3.125 -1.893) 12.143 13.921 ( 10.531 7.996 1.813) 13.347 14.285 ( -1.335 18.606 -3.501) 18.979 18.897 ( 4.742 -5.607 10.109) 12.495 20.290 ( 0.640 15.699 16.671) 22.908 21.028 ( -4.099 -0.611 -2.390) 4.784 21.241 ( -10.396 -1.831 -3.023) 10.980 23.795 ( 5.407 -8.656 -5.209) 11.458 23.830 ( 1.271 -3.858 -2.796) 4.931 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 22.299 17.744 -2.320) 28.591 3.728 ( 37.900 -13.907 34.839) 53.325 4.517 ( -6.126 -35.916 -30.232) 47.344 6.046 ( -2.531 2.167 0.574) 3.381 6.358 ( -3.951 6.151 2.617) 7.765 6.812 ( -6.596 1.067 9.600) 11.696 7.013 ( -12.246 8.265 1.459) 14.846 7.173 ( -5.835 7.768 5.204) 11.022 7.902 ( 21.643 -0.548 2.639) 21.810 8.494 ( -2.667 -4.640 2.504) 5.909 8.692 ( 0.044 5.445 -4.111) 6.823 9.834 ( -6.224 -5.125 -12.945) 15.251 10.953 ( 10.571 -4.906 7.020) 13.604 11.942 ( -6.192 -1.609 -0.441) 6.413 12.905 ( -2.793 -0.611 0.737) 2.952 13.293 ( -12.403 0.963 -1.825) 12.573 14.181 ( 9.499 7.167 2.613) 12.183 14.390 ( -3.653 14.930 -1.617) 15.455 19.023 ( 9.101 -5.405 9.411) 14.163 20.520 ( -1.416 11.221 11.158) 15.888 20.884 ( -10.117 3.017 -9.748) 14.369 21.019 ( -12.353 -2.589 7.157) 14.510 23.801 ( 6.387 -5.835 -4.413) 9.712 23.809 ( 4.026 -4.305 -3.567) 6.889 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 32.555 19.793 -13.850) 40.539 3.883 ( -6.286 -27.936 -25.306) 38.214 4.442 ( 35.447 -16.128 31.238) 49.924 6.048 ( -0.260 1.634 1.435) 2.190 6.248 ( -10.571 -3.357 -1.140) 11.150 6.608 ( -15.829 6.089 -14.456) 22.285 6.978 ( -8.250 5.266 14.031) 17.108 7.170 ( -8.935 4.468 10.016) 14.146 8.100 ( -1.766 0.208 -3.218) 3.677 8.590 ( 18.479 -3.939 7.714) 20.408 8.756 ( 3.395 6.207 -4.618) 8.449 9.604 ( -6.488 -3.724 -9.568) 12.145 11.154 ( 13.052 -4.009 6.457) 15.104 11.792 ( -9.978 1.042 -2.916) 10.447 12.862 ( -1.122 -2.636 1.883) 3.428 13.080 ( -11.532 -0.796 -1.290) 11.632 14.398 ( 6.648 5.599 2.892) 9.160 14.430 ( -5.638 10.574 -0.224) 11.985 19.212 ( 12.366 -5.140 8.759) 16.002 20.412 ( -17.494 1.392 -10.519) 20.460 20.786 ( -7.574 1.224 6.975) 10.368 20.905 ( -4.941 5.138 8.628) 11.192 23.818 ( 4.543 -2.336 -3.216) 6.036 23.851 ( 7.099 -3.752 -4.085) 9.009 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -10.722 -15.103 -15.337) 24.048 4.053 ( 38.070 18.179 -19.487) 46.470 5.008 ( 24.422 -11.650 23.227) 35.660 5.922 ( -15.056 -3.327 -10.528) 18.670 6.100 ( 0.496 -0.686 4.362) 4.443 6.335 ( -14.475 5.777 -6.315) 16.816 6.952 ( -8.911 1.158 13.238) 16.000 7.050 ( -11.368 -3.700 3.999) 12.606 8.002 ( -6.018 2.701 -1.054) 6.680 8.823 ( 0.723 4.636 -0.257) 4.699 8.905 ( 13.100 -4.393 -1.987) 13.959 9.504 ( 5.184 0.904 -3.631) 6.394 11.380 ( 12.823 -3.388 5.735) 14.450 11.598 ( -12.121 3.116 -4.984) 13.471 12.846 ( 0.653 -3.823 2.597) 4.667 12.889 ( -7.709 -2.347 -0.001) 8.058 14.402 ( -7.861 7.079 0.747) 10.605 14.544 ( 3.931 2.290 2.374) 5.131 19.436 ( 13.023 -4.878 8.138) 16.113 20.024 ( -18.912 1.300 -12.983) 22.976 20.623 ( -14.317 -3.595 10.090) 17.880 21.004 ( 1.679 5.045 4.794) 7.159 23.874 ( 5.963 -0.194 -2.947) 6.655 23.911 ( 5.396 -1.045 -3.254) 6.387 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -14.497 1.616 -0.514) 14.596 4.724 ( 36.120 13.838 -19.601) 43.364 5.095 ( -23.064 8.996 -9.635) 26.565 5.723 ( 6.242 -13.109 6.401) 15.868 6.128 ( -1.923 -1.355 7.032) 7.415 6.187 ( -2.237 -0.363 4.380) 4.931 6.759 ( -11.900 -10.593 -0.170) 15.933 6.928 ( -6.059 1.806 9.711) 11.588 7.967 ( -2.977 4.573 1.285) 5.606 8.786 ( 0.249 -5.940 -12.959) 14.258 8.945 ( -6.632 5.637 7.644) 11.584 9.747 ( 19.672 1.676 -2.209) 19.867 11.368 ( -13.534 4.901 -5.423) 15.382 11.603 ( 11.827 -4.139 4.591) 13.345 12.744 ( -5.715 -0.743 0.438) 5.780 12.892 ( 6.188 -5.828 3.492) 9.190 14.316 ( -9.044 3.110 1.618) 9.700 14.601 ( 0.759 -0.811 0.651) 1.287 19.527 ( -10.346 0.808 -3.097) 10.829 19.794 ( 6.247 -2.438 -0.817) 6.755 20.389 ( -16.703 -4.508 11.549) 20.801 21.086 ( 3.350 -0.387 0.328) 3.388 23.965 ( 3.386 1.341 -2.495) 4.414 23.976 ( 6.646 2.067 -2.725) 7.474 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -17.180 19.881 15.769) 30.644 4.534 ( -40.466 16.557 -24.056) 49.903 5.158 ( 10.803 -3.581 -2.987) 11.767 5.748 ( 2.647 -1.081 7.063) 7.620 6.091 ( -2.667 0.424 5.025) 5.704 6.353 ( 17.093 -5.686 3.915) 18.434 6.491 ( -5.006 -10.696 -2.291) 12.030 6.951 ( -0.359 1.435 9.595) 9.709 7.982 ( -0.972 2.367 1.691) 3.068 8.619 ( -4.776 -3.275 -8.754) 10.496 8.915 ( -8.126 5.396 3.826) 10.478 10.069 ( 19.139 -0.025 -4.577) 19.679 11.155 ( -13.711 4.512 -3.205) 14.786 11.771 ( 10.323 -3.674 1.603) 11.074 12.682 ( -2.054 -0.669 2.628) 3.402 12.994 ( 9.515 -4.496 2.270) 10.766 14.186 ( -9.469 0.052 2.493) 9.792 14.560 ( -2.279 -3.993 -2.448) 5.209 19.276 ( -14.963 6.370 -6.308) 17.443 19.938 ( 3.669 -5.160 5.316) 8.267 20.170 ( -8.103 -5.091 13.586) 16.618 21.117 ( 5.188 -5.373 -3.843) 8.400 24.005 ( 0.939 2.522 -1.877) 3.281 24.108 ( 7.043 4.327 -2.951) 8.777 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -17.002 33.866 29.001) 47.718 3.816 ( -46.357 20.490 -26.729) 57.300 4.946 ( -25.699 -16.667 25.139) 39.626 5.827 ( 0.799 -1.589 1.441) 2.289 6.248 ( 13.058 3.759 -5.658) 14.720 6.360 ( 4.267 -2.790 -1.736) 5.386 6.622 ( 17.532 -4.051 -0.697) 18.008 7.047 ( 4.816 -1.510 6.244) 8.029 7.986 ( -0.668 -2.340 3.849) 4.554 8.486 ( -7.203 5.158 -3.886) 9.675 8.825 ( -7.314 1.028 -0.156) 7.387 10.316 ( 15.833 -1.719 -7.613) 17.652 10.963 ( -12.892 3.930 0.965) 13.512 11.904 ( 9.707 -2.861 -2.199) 10.356 12.692 ( 0.802 -0.515 5.278) 5.363 13.134 ( 9.898 -3.177 0.071) 10.396 14.044 ( -8.759 -0.836 3.446) 9.450 14.415 ( -5.504 -6.324 -6.978) 10.908 19.110 ( -10.750 10.068 -2.587) 14.954 19.767 ( -16.775 -5.202 11.563) 21.027 20.283 ( 11.310 -6.014 11.046) 16.914 21.118 ( 7.473 -8.423 -7.184) 13.356 24.021 ( -0.855 2.872 -1.466) 3.336 24.248 ( 6.335 5.253 -3.884) 9.100 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.000 -6.469 29.202) 29.910 2.667 ( 0.000 -0.499 24.176) 24.181 4.628 ( -0.000 -37.651 -32.742) 49.897 6.118 ( -0.000 6.557 -1.227) 6.671 6.477 ( -0.000 9.838 4.339) 10.752 6.948 ( 0.000 0.382 12.101) 12.107 7.079 ( 0.000 9.710 16.345) 19.012 7.383 ( -0.000 0.246 -6.502) 6.507 7.385 ( 0.000 1.544 3.074) 3.440 8.596 ( 0.000 0.071 3.006) 3.007 8.695 ( -0.000 -0.109 -7.346) 7.347 9.959 ( -0.000 -3.062 -12.756) 13.118 10.746 ( 0.000 -7.420 6.953) 10.168 12.039 ( 0.000 -2.525 1.191) 2.792 12.973 ( -0.000 0.599 -0.607) 0.853 13.668 ( -0.000 4.028 -1.525) 4.307 13.854 ( -0.000 6.796 0.045) 6.796 14.455 ( -0.000 16.617 -1.772) 16.711 18.863 ( 0.000 -6.081 9.854) 11.580 20.529 ( 0.000 13.580 14.253) 19.687 21.045 ( -0.000 0.905 -4.074) 4.173 21.298 ( -0.000 -0.390 -3.804) 3.824 23.638 ( 0.000 -8.156 -2.783) 8.618 23.760 ( 0.000 -4.475 -2.624) 5.188 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 2.387 4.843 10.371) 11.692 3.206 ( 31.988 -13.092 30.771) 46.276 4.074 ( -2.683 -30.647 -27.161) 41.038 6.125 ( -3.410 2.758 -0.032) 4.386 6.499 ( -5.317 5.088 -2.036) 7.636 6.953 ( -5.238 -2.846 6.060) 8.500 7.256 ( -4.902 6.967 4.218) 9.506 7.355 ( -0.795 9.730 3.545) 10.386 7.571 ( 16.753 -0.513 5.250) 17.564 8.527 ( -6.412 -3.831 -2.067) 7.750 8.698 ( 2.945 2.547 -1.167) 4.065 9.823 ( -4.951 -1.515 -10.223) 11.460 10.781 ( 7.383 -6.611 6.216) 11.699 12.004 ( -2.803 -1.410 0.825) 3.244 12.950 ( -2.355 0.227 -1.326) 2.712 13.527 ( -13.935 3.017 -1.880) 14.381 14.063 ( 12.032 5.386 -0.186) 13.184 14.573 ( -2.232 12.880 -0.837) 13.099 18.906 ( 4.971 -6.110 9.219) 12.125 20.711 ( -1.467 9.059 8.813) 12.724 20.985 ( -4.975 2.726 -7.417) 9.337 21.205 ( -7.858 -0.140 0.147) 7.861 23.606 ( 5.525 -6.014 -1.320) 8.272 23.716 ( 1.535 -3.809 -1.945) 4.544 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 22.038 12.045 -6.203) 25.869 3.613 ( -3.100 -15.923 -15.445) 22.399 3.852 ( 35.202 -19.847 29.422) 49.988 6.092 ( -2.494 1.029 1.485) 3.079 6.389 ( -9.294 0.390 -2.951) 9.759 6.803 ( -10.561 2.415 -7.747) 13.319 7.222 ( -7.117 3.646 4.578) 9.215 7.390 ( -6.914 2.761 5.333) 9.158 7.976 ( 22.465 3.419 2.523) 22.863 8.354 ( -4.047 -6.519 -2.818) 8.174 8.789 ( 2.795 3.774 3.456) 5.831 9.647 ( -7.652 -0.268 -7.492) 10.713 10.931 ( 12.203 -5.094 5.691) 14.397 11.923 ( -6.197 0.141 -0.890) 6.262 12.891 ( -3.200 -0.626 -1.017) 3.416 13.292 ( -14.492 1.348 -2.191) 14.718 14.298 ( 10.471 3.197 0.188) 10.949 14.616 ( -4.466 8.547 -0.326) 9.649 19.027 ( 9.500 -5.943 8.539) 14.088 20.646 ( -14.388 3.792 -10.350) 18.125 20.921 ( -2.645 2.654 2.476) 4.491 21.084 ( -7.693 0.105 4.979) 9.164 23.673 ( 7.804 -2.836 -0.732) 8.335 23.719 ( 3.208 -1.884 -0.866) 3.820 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( -4.931 4.324 -2.801) 7.131 3.490 ( 30.777 12.427 -16.943) 37.266 4.461 ( 36.929 -21.179 27.818) 50.854 6.089 ( -0.899 0.700 1.895) 2.211 6.147 ( -14.967 -1.238 -6.573) 16.393 6.589 ( -12.939 7.813 -10.800) 18.577 7.146 ( -6.826 -1.446 5.033) 8.604 7.236 ( -12.529 -5.751 3.096) 14.129 8.148 ( -7.226 3.334 4.324) 9.057 8.446 ( 22.820 -4.432 -11.195) 25.802 8.916 ( 4.715 3.075 9.988) 11.465 9.497 ( -5.795 2.374 -4.638) 7.793 11.146 ( 14.060 -4.221 5.373) 15.632 11.786 ( -9.721 2.128 -3.379) 10.510 12.829 ( -1.924 -2.001 0.175) 2.782 13.055 ( -12.640 0.141 -1.976) 12.794 14.465 ( 6.875 0.309 0.133) 6.883 14.587 ( -6.037 4.047 0.113) 7.269 19.212 ( 12.883 -5.775 8.067) 16.260 20.297 ( -19.856 4.208 -14.775) 25.105 20.858 ( -9.566 -2.762 8.144) 12.863 21.031 ( -1.008 -0.820 0.241) 1.321 23.777 ( 4.714 0.732 0.114) 4.772 23.787 ( 7.212 0.394 -0.490) 7.239 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -10.906 19.433 12.656) 25.627 4.098 ( 37.444 13.566 -22.765) 45.873 5.005 ( 31.108 -18.946 22.152) 42.630 5.757 ( -22.841 4.261 -14.884) 27.594 6.125 ( 1.900 -2.043 4.535) 5.324 6.399 ( -11.600 7.265 -6.202) 15.027 6.915 ( -16.583 -11.397 4.398) 20.597 7.048 ( -4.448 -4.737 2.061) 6.817 8.099 ( -5.860 2.883 6.831) 9.451 8.572 ( 8.303 -4.717 -15.698) 18.375 9.138 ( 3.489 6.354 12.718) 14.639 9.478 ( 6.343 1.936 -4.633) 8.090 11.373 ( 13.491 -4.049 4.736) 14.860 11.603 ( -12.075 3.707 -4.672) 13.468 12.801 ( 1.215 -2.942 1.085) 3.363 12.860 ( -8.938 -0.105 -1.277) 9.030 14.479 ( -6.936 -0.339 1.522) 7.109 14.550 ( 2.581 -2.604 -1.412) 3.928 19.439 ( 13.955 -5.440 8.046) 17.002 19.921 ( -18.731 5.765 -13.892) 24.022 20.680 ( -14.251 -3.971 10.500) 18.141 20.995 ( 2.063 -6.174 -4.547) 7.940 23.886 ( 5.792 3.031 0.411) 6.550 23.907 ( 5.074 3.037 -0.420) 5.929 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( -13.304 30.751 23.538) 40.947 4.667 ( 32.927 8.023 -22.371) 40.608 5.168 ( -27.819 12.266 -11.002) 32.332 5.514 ( 19.722 -16.158 6.575) 26.330 6.169 ( 1.532 -3.519 8.020) 8.891 6.274 ( -6.243 4.471 -3.079) 8.273 6.555 ( -15.786 -11.179 7.735) 20.832 6.955 ( 0.633 -7.421 -2.015) 7.716 8.086 ( -4.997 2.094 9.017) 10.519 8.518 ( 2.917 -3.994 -12.887) 13.804 9.210 ( -10.980 11.066 7.058) 17.112 9.694 ( 19.798 -2.426 -4.811) 20.518 11.404 ( -12.930 4.385 -3.300) 14.047 11.565 ( 11.226 -4.634 2.694) 12.441 12.745 ( -4.567 0.528 0.511) 4.626 12.839 ( 5.801 -2.446 0.723) 6.337 14.342 ( -8.516 -2.886 2.965) 9.468 14.515 ( -0.311 -5.921 -3.482) 6.876 19.558 ( -11.724 6.408 -2.972) 13.687 19.738 ( 10.068 -3.243 0.552) 10.592 20.450 ( -16.322 -4.600 12.137) 20.853 20.924 ( 4.095 -10.560 -7.907) 13.813 24.003 ( 2.301 4.463 -0.609) 5.058 24.028 ( 6.355 4.432 -0.201) 7.751 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( -13.486 35.368 29.447) 47.957 4.582 ( -39.179 18.572 -22.106) 48.668 5.030 ( 11.698 -2.896 -6.531) 13.707 5.739 ( 11.877 -8.472 7.740) 16.515 6.181 ( -2.041 -1.937 7.985) 8.466 6.241 ( 3.492 -2.504 -6.890) 8.120 6.382 ( 1.263 -5.520 10.029) 11.517 6.902 ( 6.157 -9.965 -6.820) 13.554 8.081 ( -5.088 0.694 12.528) 13.540 8.467 ( 3.429 -1.262 -10.437) 11.058 9.119 ( -16.010 11.033 3.269) 19.716 9.953 ( 18.402 -3.936 -7.273) 20.175 11.222 ( -12.442 4.400 0.441) 13.205 11.694 ( 9.476 -5.288 -0.977) 10.895 12.724 ( -0.819 1.662 3.616) 4.063 12.948 ( 8.827 -1.661 -0.771) 9.015 14.192 ( -8.111 -3.359 4.763) 9.988 14.382 ( -3.702 -7.708 -6.366) 10.660 19.393 ( -12.411 11.810 -4.197) 17.638 19.918 ( 6.961 -5.334 8.133) 11.960 20.236 ( -9.914 -5.082 13.019) 17.135 20.841 ( 6.689 -12.589 -10.217) 17.538 24.059 ( -0.310 4.547 -1.034) 4.673 24.172 ( 6.118 4.423 -1.729) 7.745 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 0.000 -10.824 22.239) 24.733 2.871 ( 0.000 -6.824 18.856) 20.053 3.714 ( -0.000 -17.099 -17.276) 24.307 6.186 ( -0.000 2.171 0.559) 2.242 6.576 ( -0.000 4.739 -5.554) 7.301 6.997 ( 0.000 -5.340 3.733) 6.515 7.329 ( -0.000 1.878 -5.257) 5.582 7.381 ( 0.000 3.802 5.519) 6.701 7.544 ( 0.000 3.974 5.631) 6.892 8.590 ( -0.000 -0.059 -4.476) 4.477 8.643 ( 0.000 -0.487 4.402) 4.429 9.818 ( -0.000 1.886 -7.715) 7.942 10.687 ( 0.000 -6.541 6.018) 8.888 12.021 ( 0.000 -1.163 1.096) 1.598 12.961 ( -0.000 0.473 -2.669) 2.711 13.720 ( -0.000 2.598 -0.668) 2.682 13.944 ( -0.000 4.361 -3.215) 5.418 14.693 ( -0.000 8.956 -0.950) 9.006 18.860 ( 0.000 -6.319 8.585) 10.660 20.839 ( 0.000 4.480 5.290) 6.932 21.004 ( -0.000 2.895 -8.616) 9.089 21.266 ( -0.000 1.308 -3.162) 3.421 23.508 ( 0.000 -4.307 2.082) 4.783 23.665 ( 0.000 -2.598 0.012) 2.598 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 4.595 -1.539 4.730) 6.772 3.257 ( 29.540 -17.881 24.903) 42.573 3.553 ( -2.050 1.010 -2.280) 3.228 6.169 ( -3.992 0.729 1.644) 4.379 6.516 ( -6.681 2.807 -5.419) 9.049 6.905 ( -5.409 -2.642 -2.632) 6.570 7.328 ( -2.635 1.928 -4.040) 5.195 7.475 ( 3.775 -0.635 -4.562) 5.955 7.630 ( 11.980 -2.753 3.533) 12.790 8.470 ( -9.521 0.636 3.045) 10.017 8.756 ( 6.007 0.787 3.544) 7.018 9.750 ( -6.222 3.953 -4.878) 8.839 10.740 ( 8.201 -4.958 5.566) 11.082 11.994 ( -2.834 -0.584 0.341) 2.914 12.926 ( -2.312 0.404 -3.218) 3.983 13.550 ( -15.371 1.877 -2.246) 15.648 14.118 ( 12.743 2.006 -2.476) 13.135 14.732 ( -2.251 4.539 -1.197) 5.206 18.895 ( 5.174 -6.243 7.830) 11.272 20.812 ( -8.001 1.599 -6.855) 10.656 20.960 ( -0.908 1.392 -5.302) 5.556 21.212 ( -5.183 0.324 -0.724) 5.243 23.547 ( 5.241 -1.394 3.734) 6.584 23.670 ( 1.619 -0.377 2.060) 2.647 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 23.404 5.638 -11.273) 26.582 3.621 ( -4.923 20.557 11.205) 23.924 3.784 ( 36.337 -24.749 26.671) 51.422 6.115 ( -2.842 -1.319 1.727) 3.578 6.352 ( -11.564 2.069 -4.958) 12.751 6.753 ( -7.659 1.915 -8.844) 11.855 7.217 ( -5.542 -3.969 -5.299) 8.634 7.362 ( -7.818 -5.756 -3.107) 10.193 7.936 ( 24.520 -4.015 -6.130) 25.591 8.363 ( -9.091 3.032 8.008) 12.489 8.878 ( 5.653 -0.935 4.757) 7.447 9.657 ( -8.232 7.311 -0.789) 11.038 10.912 ( 12.572 -3.781 4.970) 14.037 11.916 ( -6.080 0.543 -1.399) 6.262 12.859 ( -3.236 -0.085 -2.797) 4.278 13.283 ( -15.437 1.079 -3.020) 15.767 14.309 ( 10.418 -0.919 -2.061) 10.660 14.693 ( -4.231 0.231 -0.867) 4.325 19.010 ( 9.853 -6.078 7.177) 13.621 20.552 ( -16.020 3.913 -14.796) 22.156 20.912 ( -0.085 -4.621 -4.043) 6.141 21.102 ( -7.683 -1.827 2.597) 8.313 23.684 ( 7.246 2.008 3.728) 8.393 23.735 ( 3.086 1.899 3.280) 4.887 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 34.086 9.111 -21.769) 41.457 3.876 ( -7.930 31.151 21.681) 38.772 4.331 ( 37.644 -25.052 23.823) 51.110 6.034 ( -8.481 -1.970 -5.739) 10.428 6.156 ( -8.689 4.225 0.962) 9.710 6.576 ( -8.679 3.711 -12.451) 15.624 7.012 ( -4.952 -10.587 -7.578) 13.930 7.109 ( -12.791 -7.877 1.608) 15.108 8.196 ( 13.714 -3.540 -6.370) 15.530 8.326 ( -3.847 3.218 4.222) 6.556 9.023 ( 11.606 -3.388 5.466) 13.268 9.615 ( -8.625 11.165 2.911) 14.406 11.131 ( 13.829 -3.819 4.428) 15.015 11.785 ( -9.080 2.112 -3.081) 9.818 12.792 ( -2.129 -0.790 -1.841) 2.923 13.034 ( -12.684 1.155 -2.884) 13.059 14.413 ( 6.486 -4.152 -2.521) 8.103 14.590 ( -5.797 -3.388 0.521) 6.734 19.193 ( 13.463 -5.917 6.787) 16.196 20.209 ( -18.294 6.200 -15.137) 24.540 20.813 ( 0.690 -9.763 -6.494) 11.746 20.949 ( -10.641 -3.265 5.336) 12.343 23.845 ( 4.357 3.436 3.183) 6.397 23.856 ( 6.166 4.859 2.929) 8.379 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( 36.754 8.699 -26.322) 46.036 4.196 ( -10.443 33.816 26.037) 43.938 4.847 ( 34.753 -22.919 19.352) 45.908 5.720 ( -23.278 8.658 -12.076) 27.616 6.151 ( 1.086 -1.640 5.907) 6.225 6.380 ( -8.128 1.983 -12.685) 15.195 6.777 ( -0.340 -15.105 -10.663) 18.493 6.832 ( -15.709 -5.935 9.151) 19.125 8.268 ( -2.414 1.227 8.402) 8.827 8.318 ( 3.569 -1.909 -10.298) 11.065 9.272 ( 18.812 -4.769 1.615) 19.474 9.598 ( -10.924 13.138 4.241) 17.605 11.336 ( 12.364 -5.263 2.992) 13.767 11.624 ( -10.827 3.579 -2.784) 11.738 12.763 ( 1.263 -0.917 -1.424) 2.113 12.862 ( -8.010 2.656 -1.416) 8.557 14.411 ( 2.289 -7.180 -4.006) 8.535 14.450 ( -6.783 -5.479 3.090) 9.251 19.426 ( 15.642 -5.701 6.826) 17.993 19.897 ( -16.475 8.844 -12.262) 22.361 20.673 ( 2.378 -13.547 -9.111) 16.498 20.752 ( -13.789 -3.739 8.237) 16.491 23.978 ( 5.099 3.908 1.989) 6.725 24.010 ( 3.476 6.375 1.617) 7.439 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.487 ( 31.228 5.152 -24.993) 40.329 4.487 ( -11.152 29.621 24.993) 40.329 5.291 ( -28.734 14.513 -15.432) 35.699 5.291 ( 26.935 -17.628 15.432) 35.699 6.201 ( -4.770 -0.674 -8.992) 10.201 6.201 ( 1.802 -4.468 8.992) 10.201 6.598 ( 5.937 -14.649 -14.097) 21.179 6.598 ( -15.655 -2.183 14.097) 21.179 8.284 ( 5.273 -3.725 -13.603) 15.057 8.284 ( -5.862 2.705 13.603) 15.057 9.539 ( 15.262 -3.669 -7.548) 17.418 9.539 ( -10.809 11.383 7.548) 17.418 11.468 ( 5.719 -5.130 -1.176) 7.772 11.468 ( -7.302 2.387 1.176) 7.772 12.805 ( 5.370 -0.282 -2.188) 5.806 12.805 ( -2.930 4.510 2.188) 5.806 14.308 ( -1.556 -8.489 -5.871) 10.438 14.308 ( -6.574 -5.592 5.871) 10.438 19.687 ( -9.242 9.288 -8.695) 15.725 19.687 ( 12.665 -3.360 8.695) 15.725 20.528 ( 5.378 -15.417 -12.414) 20.511 20.528 ( -16.040 -3.050 12.414) 20.511 24.108 ( 4.512 3.719 -0.158) 5.850 24.108 ( 0.965 5.767 0.158) 5.850 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.000 -16.409 16.157) 23.029 2.881 ( 0.000 -13.674 14.224) 19.730 3.709 ( -0.000 20.504 11.083) 23.307 6.230 ( 0.000 0.363 2.387) 2.415 6.574 ( -0.000 4.255 -7.634) 8.740 6.885 ( 0.000 -7.097 -3.795) 8.048 7.272 ( -0.000 -7.763 -10.572) 13.116 7.336 ( -0.000 2.981 -5.064) 5.876 7.569 ( 0.000 -4.824 0.363) 4.838 8.657 ( 0.000 5.118 4.857) 7.056 8.674 ( 0.000 -2.834 5.046) 5.788 9.836 ( -0.000 6.925 -2.525) 7.371 10.659 ( 0.000 -3.898 5.752) 6.948 12.014 ( 0.000 -0.663 0.650) 0.928 12.927 ( -0.000 0.861 -4.665) 4.744 13.748 ( -0.000 0.667 0.095) 0.674 13.936 ( -0.000 1.050 -6.346) 6.432 14.765 ( -0.000 0.483 -1.935) 1.994 18.837 ( 0.000 -6.214 6.987) 9.350 20.822 ( 0.000 -6.708 -4.612) 8.141 20.934 ( -0.000 3.933 -12.714) 13.309 21.249 ( -0.000 1.868 -4.152) 4.552 23.533 ( 0.000 0.624 7.336) 7.362 23.683 ( 0.000 1.424 4.480) 4.701 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 6.954 -8.056 -0.294) 10.647 3.139 ( 28.759 -24.615 21.652) 43.609 4.061 ( -2.722 34.003 21.068) 40.093 6.187 ( -5.627 -1.315 1.256) 5.914 6.499 ( -6.852 3.515 -6.032) 9.782 6.741 ( -1.842 -9.472 -9.649) 13.646 7.163 ( 2.882 -9.511 -13.942) 17.121 7.329 ( -1.351 0.813 -8.996) 9.133 7.579 ( 9.933 -3.948 3.147) 11.143 8.578 ( -7.621 0.257 6.989) 10.344 8.803 ( 4.623 -0.414 3.280) 5.684 9.864 ( -5.183 10.006 1.737) 11.402 10.734 ( 7.924 -2.824 5.067) 9.820 11.988 ( -2.983 -0.087 0.057) 2.985 12.885 ( -2.115 0.886 -5.191) 5.675 13.540 ( -16.010 0.559 -2.931) 16.286 14.078 ( 12.906 -1.711 -4.050) 13.634 14.722 ( -1.970 -3.117 -1.685) 4.054 18.864 ( 5.318 -6.025 6.207) 10.154 20.655 ( -4.827 -7.869 -10.734) 14.158 20.844 ( -4.038 1.050 -13.707) 14.328 21.211 ( -4.141 1.675 -1.047) 4.588 23.645 ( 4.628 3.339 8.325) 10.093 23.749 ( 1.444 2.704 5.462) 6.264 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 25.320 -0.173 -15.870) 29.883 3.577 ( 36.353 -29.369 24.146) 52.604 4.502 ( -5.897 39.251 25.364) 47.103 6.056 ( -5.207 -4.155 -3.604) 7.574 6.379 ( -8.831 4.542 -1.073) 9.989 6.529 ( -0.686 -12.857 -14.893) 19.687 6.964 ( -6.714 -7.648 -12.362) 16.012 7.197 ( -5.557 -1.791 -6.741) 8.918 7.833 ( 18.226 -0.580 -1.197) 18.275 8.502 ( -6.653 -0.914 7.501) 10.068 8.868 ( 4.715 -3.502 1.634) 6.096 9.899 ( -6.876 13.014 6.113) 15.938 10.906 ( 11.769 -3.177 4.027) 12.838 11.913 ( -6.081 1.209 -1.110) 6.298 12.816 ( -2.905 0.472 -4.767) 5.602 13.262 ( -14.996 1.446 -3.646) 15.500 14.214 ( 9.486 -4.901 -3.613) 11.272 14.626 ( -3.501 -5.827 0.119) 6.799 18.975 ( 10.108 -5.796 5.562) 12.911 20.395 ( -9.017 -4.138 -14.010) 17.167 20.660 ( -4.485 -4.581 -14.488) 15.843 21.131 ( -7.754 0.417 3.954) 8.714 23.835 ( 5.832 5.909 6.959) 10.833 23.847 ( 2.879 3.348 5.051) 6.709 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 35.306 4.494 -25.747) 43.928 4.075 ( 38.077 -28.907 23.606) 53.317 4.888 ( -9.688 32.746 22.023) 40.635 5.904 ( -4.010 -3.622 -7.328) 9.105 6.283 ( -8.125 5.287 -0.072) 9.694 6.311 ( 0.897 -12.440 -11.433) 16.919 6.658 ( -10.991 -5.798 -13.161) 18.101 7.048 ( -8.496 -0.503 0.338) 8.517 8.065 ( 10.697 -0.110 -7.264) 12.931 8.446 ( -3.962 -0.999 8.653) 9.569 8.953 ( 11.094 -6.319 0.250) 12.770 9.947 ( -9.059 14.211 7.892) 18.609 11.093 ( 12.251 -5.396 2.560) 13.629 11.803 ( -8.306 3.307 -1.419) 9.052 12.748 ( -1.674 -0.048 -3.928) 4.270 13.044 ( -11.103 3.977 -2.602) 12.077 14.250 ( 5.083 -7.694 -4.029) 10.064 14.503 ( -4.522 -7.262 3.187) 9.129 19.157 ( 13.918 -5.486 4.998) 15.773 20.123 ( -10.253 0.459 -12.869) 16.461 20.440 ( -2.259 -9.355 -14.272) 17.214 21.007 ( -11.397 -0.532 7.678) 13.752 23.955 ( 3.612 2.895 3.265) 5.664 24.033 ( 4.286 7.738 4.697) 10.016 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.000 -22.282 12.197) 25.402 2.705 ( 0.000 -20.876 11.155) 23.670 4.606 ( -0.000 41.192 25.798) 48.604 6.240 ( -0.000 -2.215 -2.025) 3.001 6.527 ( 0.000 -18.813 -7.818) 20.372 6.575 ( -0.000 5.620 -12.409) 13.622 6.863 ( -0.000 -12.439 -17.265) 21.280 7.381 ( -0.000 5.603 -2.850) 6.286 7.463 ( 0.000 -5.040 1.996) 5.421 8.655 ( 0.000 -5.114 4.043) 6.519 8.795 ( 0.000 2.265 2.908) 3.686 10.033 ( -0.000 11.949 4.333) 12.711 10.674 ( 0.000 -2.117 4.916) 5.353 12.017 ( 0.000 0.325 0.872) 0.930 12.876 ( -0.000 1.271 -6.703) 6.822 13.750 ( 0.000 -1.121 1.032) 1.524 13.828 ( -0.000 -2.004 -8.751) 8.977 14.683 ( 0.000 -5.755 -1.523) 5.953 18.798 ( 0.000 -5.773 5.381) 7.892 20.479 ( 0.000 -16.137 -12.568) 20.454 20.840 ( -0.000 4.965 -15.338) 16.122 21.260 ( -0.000 4.354 -3.134) 5.365 23.707 ( 0.000 4.684 11.251) 12.187 23.802 ( 0.000 2.811 6.068) 6.688 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 9.281 -14.161 -3.807) 17.355 2.871 ( 28.978 -30.026 20.359) 46.430 5.143 ( -4.430 40.557 25.092) 47.897 6.034 ( -3.754 -15.221 -19.682) 25.163 6.285 ( -3.202 -14.775 -4.566) 15.793 6.508 ( -4.323 2.683 -4.033) 6.493 6.788 ( 8.879 -6.045 -14.953) 18.411 7.277 ( -8.824 2.880 -4.946) 10.518 7.605 ( 11.832 0.836 4.763) 12.782 8.591 ( -3.604 -5.340 3.372) 7.272 8.820 ( 0.315 -0.589 0.746) 1.001 10.160 ( -3.625 13.449 7.390) 15.768 10.741 ( 6.848 -2.888 3.529) 8.227 12.005 ( -3.311 1.616 0.947) 3.805 12.827 ( -1.829 1.145 -7.082) 7.404 13.501 ( -14.857 0.021 -3.852) 15.348 13.963 ( 11.764 -4.522 -3.743) 13.148 14.601 ( -1.366 -7.525 0.264) 7.653 18.821 ( 5.355 -5.451 4.706) 8.974 20.225 ( 0.220 -17.891 -14.420) 22.980 20.720 ( -8.006 5.656 -16.468) 19.164 21.261 ( -3.613 4.199 -0.133) 5.541 23.869 ( 3.553 6.098 10.499) 12.651 23.875 ( 1.517 2.736 5.841) 6.626 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 28.076 -4.719 -19.633) 34.584 3.284 ( 38.129 -32.396 25.199) 56.021 5.357 ( -9.682 -1.994 -5.168) 11.155 5.816 ( 1.554 3.300 -3.794) 5.263 6.124 ( -0.969 -0.939 -1.886) 2.319 6.444 ( -4.193 -0.939 1.311) 4.492 6.737 ( -3.868 1.629 -8.890) 9.831 7.138 ( -6.360 4.025 -7.734) 10.792 7.871 ( 12.653 2.293 3.263) 13.267 8.487 ( -2.660 -6.998 2.280) 7.826 8.818 ( 1.103 -2.522 0.670) 2.833 10.264 ( -6.126 13.694 8.627) 17.306 10.864 ( 9.987 -5.664 1.556) 11.586 11.956 ( -6.057 4.014 0.826) 7.313 12.755 ( -2.389 0.604 -6.358) 6.819 13.262 ( -12.228 3.379 -3.055) 13.049 14.047 ( 7.575 -7.117 -3.306) 10.907 14.504 ( -2.239 -8.347 3.502) 9.325 18.929 ( 10.165 -5.041 3.957) 12.016 19.973 ( 1.602 -17.769 -14.132) 22.760 20.501 ( -11.741 6.179 -15.518) 20.417 21.215 ( -7.513 2.888 4.082) 9.025 23.950 ( 2.215 1.591 3.563) 4.487 24.077 ( 4.335 8.100 8.245) 12.344 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.000 -28.016 11.820) 30.407 2.369 ( 0.000 -27.506 10.483) 29.436 5.592 ( -0.000 -34.837 -33.185) 48.113 5.729 ( -0.000 38.257 21.272) 43.773 6.317 ( 0.000 -5.102 6.994) 8.657 6.437 ( -0.000 -8.640 -13.476) 16.008 6.607 ( -0.000 8.824 -9.038) 12.631 7.449 ( 0.000 -2.430 6.444) 6.887 7.465 ( -0.000 6.020 -2.500) 6.518 8.581 ( 0.000 -5.227 0.388) 5.241 8.818 ( 0.000 -0.487 -0.240) 0.543 10.371 ( -0.000 13.459 8.227) 15.774 10.669 ( 0.000 -4.069 2.168) 4.610 12.067 ( 0.000 2.977 2.647) 3.984 12.806 ( -0.000 1.379 -8.281) 8.395 13.661 ( -0.000 -2.774 -8.789) 9.217 13.734 ( 0.000 -2.433 2.011) 3.156 14.538 ( 0.000 -8.484 1.647) 8.643 18.754 ( 0.000 -5.036 4.232) 6.578 19.940 ( 0.000 -19.589 -15.440) 24.942 20.745 ( -0.000 6.247 -16.647) 17.781 21.337 ( -0.000 6.508 -1.545) 6.689 23.913 ( 0.000 1.286 4.497) 4.677 23.977 ( 0.000 6.645 13.023) 14.620 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 11.231 -19.362 -5.437) 23.034 2.516 ( 32.054 -34.455 23.242) 52.486 4.984 ( -0.557 -41.415 -36.263) 55.050 5.987 ( -8.531 3.810 -2.038) 9.563 6.325 ( -1.098 24.561 13.596) 28.095 6.425 ( 2.348 -7.047 2.266) 7.766 6.682 ( 5.076 9.277 -11.116) 15.343 7.303 ( -10.836 3.282 -0.454) 11.331 7.698 ( 13.504 1.044 5.464) 14.605 8.486 ( -4.628 -5.407 -2.648) 7.594 8.810 ( -0.347 -0.308 0.357) 0.585 10.524 ( -3.176 12.567 8.290) 15.386 10.675 ( 5.645 -6.850 -0.103) 8.877 12.095 ( -3.509 5.229 3.477) 7.194 12.752 ( -1.553 1.125 -8.042) 8.268 13.459 ( -10.354 1.249 -3.748) 11.082 13.832 ( 8.306 -5.312 -1.203) 9.933 14.468 ( -0.546 -8.732 4.528) 9.851 18.777 ( 5.205 -4.579 3.731) 7.873 19.668 ( 1.664 -19.148 -14.677) 24.183 20.634 ( -7.550 6.827 -16.439) 19.335 21.366 ( -3.569 6.104 0.721) 7.107 23.954 ( 1.030 0.286 3.058) 3.239 24.153 ( 2.927 7.359 11.444) 13.917 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 -33.785 16.722) 37.697 1.922 ( 0.000 -33.672 13.263) 36.190 4.291 ( -0.000 -49.142 -41.165) 64.105 6.046 ( -0.000 -2.403 -11.172) 11.427 6.328 ( 0.000 -3.198 7.208) 7.886 6.662 ( -0.000 9.234 -10.596) 14.054 6.695 ( -0.000 24.217 14.312) 28.130 7.517 ( 0.000 -3.491 12.890) 13.355 7.521 ( -0.000 3.404 -4.510) 5.651 8.472 ( -0.000 -1.203 -7.220) 7.320 8.823 ( -0.000 1.712 0.851) 1.912 10.536 ( 0.000 -10.031 -2.285) 10.288 10.720 ( -0.000 11.627 7.244) 13.699 12.213 ( 0.000 6.701 5.439) 8.630 12.725 ( -0.000 1.344 -8.311) 8.419 13.536 ( -0.000 -0.154 -5.416) 5.418 13.708 ( 0.000 -3.330 2.568) 4.205 14.422 ( 0.000 -8.444 6.668) 10.759 18.715 ( 0.000 -4.169 4.001) 5.778 19.380 ( 0.000 -17.988 -13.773) 22.656 20.658 ( -0.000 7.016 -17.496) 18.851 21.463 ( -0.000 7.465 -0.487) 7.481 23.959 ( 0.000 -0.740 2.080) 2.208 24.271 ( 0.000 6.351 12.545) 14.061 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.000 -0.000 49.357) 49.357 1.940 ( 0.000 -0.000 49.357) 49.357 2.438 ( 0.000 -0.000 62.480) 62.480 6.083 ( 0.000 -0.000 6.602) 6.602 6.083 ( 0.000 -0.000 6.602) 6.602 6.894 ( -0.000 0.000 -12.769) 12.769 6.894 ( -0.000 0.000 -12.769) 12.769 7.804 ( 0.000 -0.000 6.564) 6.564 7.804 ( 0.000 -0.000 6.564) 6.564 8.778 ( -0.000 0.000 -13.912) 13.912 9.066 ( -0.000 0.000 -13.908) 13.908 10.721 ( 0.000 -0.000 24.149) 24.149 10.806 ( -0.000 0.000 -16.911) 16.911 12.628 ( 0.000 0.000 0.295) 0.295 12.628 ( -0.000 -0.000 0.295) 0.295 12.706 ( 0.000 -0.000 0.048) 0.048 13.546 ( -0.000 0.000 -2.467) 2.467 13.546 ( -0.000 0.000 -2.467) 2.467 18.931 ( 0.000 -0.000 14.039) 14.039 18.931 ( 0.000 -0.000 14.039) 14.039 21.576 ( -0.000 0.000 -8.094) 8.094 21.576 ( -0.000 0.000 -8.094) 8.094 23.931 ( 0.000 -0.000 1.066) 1.066 24.276 ( -0.000 0.000 -1.471) 1.471 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -23.517 -13.577 46.850) 54.151 2.764 ( 25.259 14.583 45.962) 54.436 3.211 ( 22.899 13.221 55.696) 61.653 5.993 ( -5.781 -3.338 4.354) 7.970 6.289 ( 7.196 4.155 11.515) 14.200 6.839 ( 0.869 0.502 -10.107) 10.157 6.845 ( 4.100 2.367 -18.280) 18.883 7.710 ( -9.713 -5.608 0.659) 11.234 7.829 ( -1.068 -0.617 7.622) 7.721 8.692 ( 0.518 0.299 -13.465) 13.478 8.830 ( -12.560 -7.252 -4.535) 15.196 10.663 ( -2.689 -1.553 -18.370) 18.631 10.755 ( -5.745 -3.317 24.688) 25.564 12.504 ( -7.871 -4.544 -0.813) 9.125 12.810 ( 4.162 2.403 1.860) 5.154 12.959 ( 23.742 13.707 -9.585) 29.042 13.473 ( -2.896 -1.672 -3.654) 4.953 13.625 ( 6.106 3.525 -1.506) 7.210 18.949 ( -1.245 -0.719 13.407) 13.484 19.165 ( 6.875 3.969 17.537) 19.250 21.421 ( -10.193 -5.885 -0.907) 11.805 21.445 ( -4.890 -2.823 -10.478) 11.902 23.940 ( 0.224 0.129 0.831) 0.870 24.268 ( 0.705 0.407 -4.447) 4.521 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 8.299 4.791 24.550) 26.354 3.615 ( 25.513 14.730 40.588) 50.153 4.047 ( 21.386 12.347 48.663) 54.571 5.909 ( -3.603 -2.080 3.883) 5.690 6.476 ( 0.476 0.275 13.627) 13.639 6.780 ( -1.474 -0.851 -7.661) 7.848 6.819 ( 4.745 2.739 -22.093) 22.762 7.384 ( -16.459 -9.502 -8.675) 20.891 7.923 ( 6.617 3.820 6.647) 10.128 8.555 ( -10.791 -6.230 5.038) 13.440 8.626 ( -0.246 -0.142 -10.343) 10.347 10.457 ( -5.031 -2.904 -18.989) 19.857 10.844 ( 0.655 0.378 19.965) 19.979 12.300 ( -9.586 -5.535 -1.863) 11.225 12.889 ( 1.792 1.035 3.327) 3.918 13.350 ( 6.024 3.478 -8.437) 10.935 13.386 ( 8.004 4.621 -8.142) 12.317 13.791 ( 8.470 4.890 1.188) 9.852 19.042 ( 2.148 1.240 12.492) 12.735 19.455 ( 8.360 4.827 19.442) 21.707 21.178 ( -12.404 -7.161 6.086) 15.562 21.224 ( -8.251 -4.764 -12.687) 15.866 23.951 ( 0.544 0.314 -0.186) 0.655 24.247 ( 0.788 0.455 -7.396) 7.451 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 30.742 17.749 1.811) 35.544 4.385 ( 21.457 12.388 32.698) 41.025 4.753 ( 15.720 9.076 39.854) 43.793 5.893 ( -0.285 -0.164 4.846) 4.857 6.421 ( -6.212 -3.587 -8.443) 11.078 6.662 ( -5.652 -3.263 -5.545) 8.564 6.790 ( -0.963 -0.556 -0.582) 1.255 6.907 ( -18.243 -10.532 -14.276) 25.447 8.231 ( 17.478 10.091 3.965) 20.567 8.435 ( -4.326 -2.497 9.942) 11.126 8.523 ( -3.773 -2.178 -9.506) 10.457 10.201 ( -7.021 -4.053 -18.727) 20.406 11.018 ( 4.371 2.523 15.911) 16.692 12.052 ( -10.915 -6.302 -3.671) 13.128 12.949 ( 1.303 0.752 5.825) 6.016 13.227 ( -5.674 -3.276 -4.033) 7.693 13.628 ( 11.511 6.646 -10.662) 17.039 14.000 ( 8.260 4.769 4.357) 10.486 19.199 ( 4.959 2.863 11.608) 12.944 19.779 ( 9.375 5.413 19.690) 22.470 20.917 ( -11.323 -6.538 -14.680) 19.659 20.949 ( -12.505 -7.220 9.522) 17.296 23.963 ( 1.190 0.687 -1.743) 2.219 24.211 ( 0.529 0.305 -8.441) 8.463 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 39.455 22.779 -10.276) 46.703 4.905 ( 8.048 4.646 15.936) 18.447 5.167 ( 1.138 0.657 18.581) 18.627 5.957 ( 2.266 1.309 7.516) 7.958 6.226 ( -1.621 -0.936 -8.868) 9.063 6.408 ( -9.806 -5.662 -13.469) 17.596 6.518 ( -11.176 -6.452 0.058) 12.905 6.747 ( -5.676 -3.277 9.962) 11.925 8.325 ( -8.238 -4.756 -10.579) 14.227 8.465 ( 0.925 0.534 9.474) 9.534 8.714 ( 22.360 12.910 4.026) 26.131 9.909 ( -8.787 -5.073 -17.442) 20.179 11.234 ( 6.471 3.736 13.670) 15.579 11.769 ( -11.490 -6.634 -6.007) 14.564 13.030 ( 1.739 1.004 9.142) 9.360 13.064 ( -6.570 -3.793 -3.544) 8.374 13.767 ( 6.666 3.848 -8.452) 11.431 14.203 ( 6.496 3.750 6.845) 10.154 19.404 ( 6.775 3.911 10.929) 13.440 20.117 ( 9.897 5.714 18.418) 21.675 20.538 ( -13.555 -7.826 -16.125) 22.472 20.733 ( -12.884 -7.438 11.246) 18.649 23.985 ( 2.276 1.314 -3.528) 4.399 24.166 ( 0.217 0.125 -8.219) 8.223 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 39.954 23.068 -15.541) 48.683 4.827 ( -14.852 -8.575 -12.599) 21.280 4.972 ( -15.922 -9.193 -14.750) 23.571 6.022 ( -1.541 -0.890 7.445) 7.655 6.241 ( -11.496 -6.637 3.491) 13.726 6.330 ( 5.835 3.369 12.863) 14.521 6.395 ( 6.982 4.031 6.045) 10.077 6.683 ( -4.323 -2.496 10.615) 11.731 8.031 ( -11.242 -6.490 -11.544) 17.372 8.569 ( 2.878 1.662 8.274) 8.917 9.247 ( 22.694 13.102 2.680) 26.341 9.589 ( -10.563 -6.099 -15.141) 19.443 11.472 ( -10.907 -6.297 -7.920) 14.877 11.477 ( 7.724 4.459 12.324) 15.213 12.895 ( -6.506 -3.756 -2.820) 8.024 13.141 ( 2.113 1.220 11.880) 12.128 13.830 ( 3.364 1.942 -6.456) 7.534 14.371 ( 4.102 2.368 8.159) 9.434 19.621 ( 5.812 3.355 8.776) 11.048 20.130 ( -12.835 -7.411 -14.786) 20.936 20.431 ( 3.113 1.797 17.319) 17.688 20.526 ( -7.109 -4.104 10.684) 13.474 24.022 ( 3.641 2.102 -5.363) 6.815 24.118 ( -0.037 -0.021 -7.334) 7.334 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( -12.730 -7.350 -24.229) 28.339 4.238 ( -24.162 -13.950 -25.980) 38.123 4.749 ( 28.120 16.235 -18.433) 37.337 5.888 ( -20.136 -11.626 17.890) 29.337 6.098 ( -0.007 -0.004 3.821) 3.821 6.409 ( -6.353 -3.668 12.511) 14.503 6.662 ( 9.813 5.666 3.925) 11.992 6.815 ( 8.769 5.063 12.948) 16.437 7.713 ( -9.901 -5.716 -9.811) 15.065 8.681 ( 2.691 1.554 6.162) 6.901 9.246 ( -12.338 -7.124 -11.993) 18.623 9.744 ( 20.465 11.815 0.756) 23.643 11.190 ( -9.432 -5.445 -8.523) 13.829 11.728 ( 8.054 4.650 10.356) 13.919 12.747 ( -5.241 -3.026 -1.498) 6.235 13.269 ( 2.033 1.174 13.020) 13.230 13.843 ( 1.132 0.653 -4.729) 4.906 14.487 ( 1.647 0.951 8.110) 8.330 19.566 ( -11.365 -6.561 -12.575) 18.175 19.995 ( 4.750 2.742 7.580) 9.357 20.243 ( -15.861 -9.157 13.756) 22.905 20.774 ( 10.036 5.794 11.215) 16.127 24.072 ( -0.242 -0.140 -6.167) 6.173 24.079 ( 4.926 2.844 -7.246) 9.212 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -27.604 -15.937 -29.855) 43.673 3.521 ( -27.192 -15.699 -27.839) 41.963 5.413 ( 33.306 19.229 -13.843) 40.874 5.476 ( -28.846 -16.654 26.641) 42.652 6.159 ( 2.112 1.219 6.646) 7.079 6.321 ( -5.899 -3.406 8.372) 10.793 6.781 ( 1.171 0.676 -9.064) 9.165 7.115 ( 9.910 5.722 11.200) 16.012 7.537 ( -1.121 -0.647 -2.975) 3.244 8.759 ( 1.439 0.831 3.875) 4.216 8.893 ( -13.249 -7.650 -7.697) 17.126 10.164 ( 17.177 9.917 -1.536) 19.894 10.944 ( -8.140 -4.699 -7.236) 11.862 11.954 ( 7.175 4.143 5.870) 10.154 12.655 ( -2.696 -1.557 1.531) 3.470 13.390 ( 1.467 0.847 12.175) 12.293 13.824 ( -0.499 -0.288 -3.419) 3.467 14.546 ( -0.564 -0.326 6.465) 6.497 19.199 ( -11.820 -6.824 -14.120) 19.638 19.960 ( -17.068 -9.854 13.668) 23.984 20.206 ( 6.660 3.845 12.419) 14.607 21.052 ( 9.330 5.387 7.614) 13.192 24.030 ( -0.436 -0.252 -4.889) 4.915 24.147 ( 5.786 3.341 -9.223) 11.389 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -29.821 -17.217 -28.194) 44.504 2.712 ( -29.627 -17.105 -24.342) 41.987 4.939 ( -36.531 -21.091 34.733) 54.642 5.938 ( 13.265 7.659 1.135) 15.359 6.278 ( 3.748 2.164 9.236) 10.200 6.341 ( 10.697 6.176 -5.345) 13.459 6.657 ( -3.059 -1.766 -13.422) 13.879 7.371 ( 7.272 4.198 7.322) 11.140 7.566 ( 3.110 1.795 -4.910) 6.083 8.587 ( -10.568 -6.102 -0.535) 12.215 8.798 ( 0.681 0.393 1.683) 1.857 10.491 ( 13.632 7.871 -4.095) 16.265 10.730 ( -8.034 -4.638 -3.764) 10.011 12.112 ( 5.677 3.277 -1.173) 6.659 12.654 ( 0.271 0.157 6.334) 6.342 13.483 ( 0.635 0.367 9.463) 9.492 13.778 ( -1.857 -1.072 -2.714) 3.459 14.539 ( -2.852 -1.647 2.269) 3.999 18.893 ( -8.160 -4.711 -10.179) 13.870 19.661 ( -17.094 -9.869 13.643) 23.994 20.430 ( 5.757 3.324 14.525) 15.974 21.285 ( 8.129 4.693 3.932) 10.177 23.991 ( -0.597 -0.345 -3.527) 3.594 24.216 ( 6.022 3.477 -11.171) 13.159 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 -13.307 46.297) 48.172 2.466 ( 0.000 -16.107 52.583) 54.995 3.815 ( 0.000 45.053 49.871) 67.208 6.091 ( 0.000 -0.891 4.014) 4.112 6.302 ( 0.000 5.595 10.078) 11.527 6.685 ( -0.000 -4.330 -15.088) 15.697 6.802 ( -0.000 3.928 -9.835) 10.590 7.761 ( 0.000 -8.795 4.352) 9.813 7.785 ( 0.000 -8.690 -0.808) 8.727 8.615 ( -0.000 3.973 -13.959) 14.514 8.821 ( 0.000 -8.535 -4.872) 9.828 10.543 ( -0.000 -2.746 -19.746) 19.936 10.902 ( 0.000 -8.483 23.241) 24.740 12.450 ( 0.000 -11.206 -0.590) 11.222 12.806 ( -0.000 5.575 0.405) 5.590 12.995 ( -0.000 28.325 -4.068) 28.616 13.495 ( -0.000 1.488 -3.975) 4.245 13.575 ( -0.000 4.897 -3.287) 5.898 19.001 ( 0.000 -6.411 15.352) 16.637 19.313 ( 0.000 11.578 18.707) 22.000 21.338 ( -0.000 -8.236 -7.461) 11.113 21.480 ( -0.000 -0.102 -8.904) 8.905 23.942 ( 0.000 -0.572 0.948) 1.107 24.212 ( 0.000 -4.706 -3.077) 5.623 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -20.302 -5.238 41.498) 46.494 3.188 ( 40.361 -14.479 46.485) 63.241 4.552 ( 1.761 40.822 42.517) 58.968 6.016 ( -7.304 0.167 3.295) 8.015 6.503 ( 8.853 -8.061 -20.378) 23.634 6.560 ( 1.459 1.844 13.628) 13.829 6.782 ( -0.332 3.876 -7.832) 8.745 7.493 ( -13.258 -9.966 -7.259) 18.105 7.816 ( 7.957 -6.872 2.568) 10.823 8.584 ( -0.750 4.737 -10.324) 11.383 8.670 ( -6.056 -5.719 1.022) 8.392 10.363 ( -2.516 -3.627 -20.190) 20.667 10.953 ( -0.332 -5.798 20.295) 21.109 12.320 ( -3.181 -10.225 -0.765) 10.736 12.872 ( 1.782 2.574 0.576) 3.183 13.295 ( 6.195 24.747 -5.156) 26.027 13.418 ( -5.841 2.083 -4.756) 7.815 13.709 ( 8.302 7.495 -2.028) 11.367 19.058 ( 2.649 -5.899 15.272) 16.584 19.581 ( 2.713 12.632 19.877) 23.707 21.185 ( -4.073 -6.252 -8.145) 11.046 21.344 ( -8.593 -1.421 -5.818) 10.474 23.940 ( 0.292 -1.207 0.210) 1.260 24.152 ( 2.064 -6.004 -4.747) 7.928 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 6.046 8.282 21.970) 24.245 4.000 ( 38.197 -12.821 40.506) 57.133 5.145 ( -0.837 27.343 29.482) 40.218 5.955 ( -2.624 1.322 4.447) 5.330 6.252 ( 0.813 -16.441 -23.630) 28.798 6.689 ( -3.887 0.050 4.263) 5.769 6.827 ( 1.498 3.536 7.505) 8.430 7.088 ( -17.653 -3.396 -13.742) 22.627 7.985 ( 16.524 -1.982 1.126) 16.681 8.523 ( -3.714 1.006 -1.779) 4.239 8.570 ( -4.352 0.576 0.394) 4.408 10.136 ( -4.765 -4.251 -19.788) 20.793 11.057 ( 3.750 -3.282 16.969) 17.686 12.129 ( -8.044 -7.583 -2.362) 11.304 12.922 ( 2.694 -0.979 2.209) 3.619 13.290 ( -6.658 -0.021 -4.523) 8.050 13.581 ( 4.488 20.978 -5.355) 22.111 13.933 ( 9.278 7.715 1.110) 12.118 19.173 ( 5.991 -4.926 14.720) 16.639 19.888 ( 3.970 12.583 19.722) 23.729 20.959 ( -9.730 -3.409 -13.628) 17.088 21.134 ( -10.903 -4.248 2.855) 12.045 23.932 ( 0.874 -1.516 -1.229) 2.138 24.105 ( 3.112 -5.205 -6.738) 9.065 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 26.358 17.845 2.140) 31.902 4.690 ( 27.796 -9.911 29.911) 42.018 5.237 ( -6.637 -13.818 -5.094) 16.153 6.005 ( -1.651 0.115 2.837) 3.285 6.127 ( 7.695 6.034 1.061) 9.836 6.561 ( -17.036 3.395 -10.999) 20.560 6.652 ( -10.748 -2.654 0.247) 11.073 6.927 ( -6.134 2.325 11.178) 12.961 8.243 ( 9.020 -4.385 -5.875) 11.624 8.495 ( 1.354 7.408 -3.835) 8.451 8.585 ( 5.510 1.542 11.083) 12.472 9.875 ( -6.604 -4.633 -18.470) 20.155 11.225 ( 7.071 -1.743 14.675) 16.382 11.877 ( -11.749 -4.898 -5.228) 13.761 12.980 ( 4.356 -4.283 4.752) 7.739 13.141 ( -6.895 -1.134 -3.461) 7.798 13.780 ( 0.531 17.860 -4.243) 18.365 14.167 ( 8.174 6.211 4.242) 11.108 19.348 ( 8.817 -4.001 14.201) 17.188 20.196 ( 4.467 10.924 17.324) 20.962 20.626 ( -14.370 -2.219 -15.857) 21.514 20.940 ( -11.349 -5.215 8.210) 14.946 23.928 ( 1.927 -1.296 -3.072) 3.851 24.068 ( 3.106 -3.801 -7.696) 9.129 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 35.808 21.532 -10.269) 43.026 4.655 ( -9.139 -29.939 -24.359) 39.664 5.129 ( -0.400 -2.980 9.291) 9.766 6.033 ( 3.874 -1.776 4.586) 6.260 6.238 ( -5.452 -1.558 -7.566) 9.455 6.286 ( -0.450 -2.154 1.578) 2.708 6.630 ( -5.336 11.947 17.227) 21.633 6.884 ( -9.405 2.017 12.141) 15.489 8.087 ( -9.232 -5.100 -9.382) 14.116 8.594 ( 2.221 3.875 4.680) 6.469 8.970 ( 22.999 5.961 4.125) 24.115 9.598 ( -7.916 -3.932 -15.694) 18.012 11.437 ( 8.812 -0.969 12.869) 15.627 11.586 ( -13.106 -2.321 -7.704) 15.379 12.952 ( -5.918 -3.121 -2.114) 7.017 13.092 ( 5.541 -6.202 7.262) 11.041 13.897 ( -3.112 15.476 -2.578) 15.995 14.371 ( 5.765 4.458 6.187) 9.560 19.561 ( 9.668 -3.292 13.201) 16.690 20.187 ( -13.552 -5.288 -15.050) 20.931 20.531 ( 2.879 11.509 14.252) 18.543 20.746 ( -12.874 -5.148 10.331) 17.290 23.937 ( 3.343 -0.514 -5.062) 6.088 24.037 ( 2.571 -2.346 -7.666) 8.419 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 3.529 -17.194 -23.925) 29.673 4.173 ( 22.259 5.273 -20.656) 30.822 4.828 ( -29.929 8.636 -18.506) 36.232 6.100 ( 1.181 -0.799 6.143) 6.306 6.145 ( -10.038 -10.251 9.301) 17.098 6.344 ( 15.908 -7.688 8.653) 19.674 6.727 ( -7.970 4.361 12.834) 15.724 6.890 ( -2.153 6.433 10.460) 12.467 7.813 ( -11.236 -1.493 -7.154) 13.403 8.698 ( 2.038 3.202 4.811) 6.128 9.226 ( -1.562 -8.550 -12.126) 14.919 9.532 ( 15.323 9.713 -0.091) 18.143 11.291 ( -12.672 -0.601 -9.308) 15.735 11.672 ( 9.500 -0.365 11.012) 14.548 12.805 ( -6.062 -2.494 -1.246) 6.672 13.192 ( 8.309 -9.410 9.519) 15.755 13.949 ( -5.729 13.154 -0.785) 14.369 14.519 ( 2.783 2.636 6.610) 7.641 19.633 ( -9.363 -3.858 -7.097) 12.366 19.937 ( 4.692 -4.285 4.420) 7.740 20.517 ( -15.204 -6.507 12.900) 20.974 20.802 ( 4.928 10.047 11.255) 15.871 23.967 ( 4.714 0.703 -7.064) 8.522 24.011 ( 1.836 -1.019 -6.995) 7.304 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -14.422 -31.069 -24.409) 42.060 4.123 ( -40.455 12.906 -26.566) 50.089 4.884 ( 37.708 18.897 -18.983) 46.253 5.893 ( -17.860 -11.818 18.764) 28.473 6.149 ( 1.074 -2.521 7.402) 7.893 6.485 ( -1.286 -3.616 10.294) 10.986 6.742 ( -2.020 2.854 0.460) 3.526 6.966 ( 7.224 -7.135 8.949) 13.535 7.660 ( -6.581 8.258 -2.011) 10.750 8.775 ( 0.774 1.942 3.666) 4.220 8.950 ( -9.152 -8.297 -10.298) 16.082 9.934 ( 19.042 7.916 -1.474) 20.674 11.036 ( -11.000 1.053 -8.684) 14.054 11.877 ( 8.520 -1.070 6.835) 10.975 12.703 ( -3.521 -1.479 1.880) 4.256 13.300 ( 8.913 -10.822 9.219) 16.779 13.952 ( -7.433 10.457 0.642) 12.846 14.595 ( -0.158 0.665 5.348) 5.392 19.281 ( -14.585 -3.251 -13.691) 20.267 20.124 ( 8.414 -5.210 12.692) 16.095 20.273 ( -14.456 -5.549 14.712) 21.359 21.036 ( 5.802 7.066 7.546) 11.854 23.989 ( 1.104 -0.007 -5.959) 6.060 24.019 ( 5.523 2.313 -8.972) 10.786 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -18.699 -20.695 -14.200) 31.298 3.341 ( -45.342 12.428 -28.003) 54.722 5.433 ( -2.979 -9.999 11.965) 15.875 5.654 ( 8.643 9.981 0.959) 13.238 6.169 ( 2.243 -7.026 6.171) 9.617 6.507 ( -2.623 6.290 10.697) 12.683 6.609 ( -6.581 -2.811 -8.904) 11.424 7.157 ( 14.022 -8.106 7.951) 18.043 7.680 ( -3.678 12.665 -2.731) 13.468 8.663 ( -8.889 -7.856 -3.810) 12.460 8.811 ( -0.173 0.656 1.151) 1.336 10.278 ( 16.143 5.776 -4.718) 17.782 10.832 ( -9.559 1.690 -5.548) 11.181 12.013 ( 6.584 -1.597 0.590) 6.801 12.691 ( -0.023 -0.479 6.217) 6.235 13.394 ( 8.176 -10.389 7.148) 15.029 13.912 ( -8.423 7.372 1.323) 11.272 14.589 ( -3.071 -1.692 1.916) 3.996 18.964 ( -11.232 -0.836 -9.912) 15.004 19.955 ( -17.384 -8.607 13.619) 23.702 20.399 ( 9.569 -2.737 15.854) 18.719 21.226 ( 6.519 3.604 3.380) 8.180 23.970 ( 0.281 0.697 -4.590) 4.651 24.083 ( 5.679 4.181 -10.637) 12.763 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 -7.409 41.964) 42.613 2.810 ( 0.000 -15.156 49.036) 51.325 5.166 ( 0.000 36.577 33.280) 49.451 6.118 ( -0.000 -19.834 -28.094) 34.390 6.155 ( 0.000 2.991 3.579) 4.664 6.661 ( 0.000 5.048 16.894) 17.632 6.789 ( -0.000 4.003 -3.092) 5.059 7.517 ( -0.000 -7.600 -9.957) 12.526 7.614 ( 0.000 -9.797 1.882) 9.976 8.595 ( -0.000 7.263 -9.066) 11.616 8.668 ( 0.000 -5.237 1.734) 5.517 10.219 ( -0.000 -3.831 -20.259) 20.618 10.997 ( 0.000 -9.096 17.642) 19.849 12.246 ( 0.000 -8.933 0.331) 8.939 12.898 ( -0.000 3.855 -0.667) 3.913 13.465 ( -0.000 20.292 -0.344) 20.295 13.504 ( -0.000 4.375 -3.761) 5.770 13.685 ( -0.000 14.719 -6.055) 15.916 19.064 ( 0.000 -7.832 16.075) 17.882 19.824 ( 0.000 14.847 20.121) 25.005 21.120 ( -0.000 -3.668 -8.495) 9.253 21.361 ( -0.000 -0.351 -8.673) 8.680 23.919 ( 0.000 -2.603 -0.070) 2.604 24.030 ( 0.000 -9.289 -3.074) 9.785 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -17.531 -2.706 35.659) 39.827 3.485 ( 38.078 -14.226 43.710) 59.690 5.502 ( -8.888 -2.611 -5.074) 10.563 5.827 ( 9.750 -1.439 -8.039) 12.718 6.162 ( -5.926 4.620 5.085) 9.073 6.808 ( -3.029 4.509 5.577) 7.785 6.890 ( 4.859 6.534 15.250) 17.288 7.236 ( -13.643 -3.084 -11.639) 18.196 7.688 ( 13.566 -6.217 -0.645) 14.936 8.583 ( -2.538 5.551 -7.249) 9.476 8.626 ( -2.021 -2.767 3.772) 5.096 10.034 ( -2.642 -3.643 -19.444) 19.957 11.036 ( 3.388 -8.836 15.180) 17.889 12.145 ( -3.473 -6.848 -0.087) 7.679 12.917 ( -0.492 2.045 -0.830) 2.261 13.404 ( -8.785 3.470 -4.132) 10.310 13.716 ( 5.499 17.296 0.507) 18.156 13.880 ( 5.768 16.210 -4.166) 17.703 19.119 ( 3.842 -8.171 15.940) 18.320 20.106 ( 1.194 14.755 19.237) 24.274 20.991 ( -5.784 -0.943 -11.630) 13.023 21.250 ( -6.205 -1.129 -4.588) 7.799 23.890 ( 0.468 -3.487 -0.969) 3.650 23.944 ( 3.014 -9.079 -3.557) 10.205 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 5.083 7.353 17.927) 20.031 4.239 ( 35.932 -14.361 37.339) 53.773 5.000 ( -6.158 -32.401 -28.864) 43.827 5.994 ( 1.539 3.516 -0.408) 3.860 6.223 ( -0.658 10.684 7.851) 13.275 6.824 ( -16.749 -0.876 -11.149) 20.140 6.854 ( -8.235 10.232 9.308) 16.098 7.101 ( -1.733 4.059 12.039) 12.823 7.935 ( 19.164 -1.727 -0.864) 19.261 8.528 ( -2.784 4.309 -9.761) 11.027 8.621 ( -0.395 -1.406 10.224) 10.328 9.816 ( -5.034 -3.352 -17.870) 18.865 11.142 ( 7.819 -7.507 13.449) 17.274 11.984 ( -8.625 -3.806 -2.736) 9.817 12.923 ( 0.944 -0.935 0.940) 1.627 13.248 ( -9.164 1.511 -4.329) 10.247 13.964 ( 1.370 19.361 0.646) 19.420 14.106 ( 7.917 9.909 -0.460) 12.692 19.239 ( 7.774 -8.009 15.579) 19.164 20.373 ( 0.588 12.069 14.916) 19.196 20.754 ( -11.762 1.813 -14.212) 18.537 21.104 ( -8.150 -2.406 2.716) 8.921 23.859 ( 1.331 -3.507 -2.265) 4.382 23.906 ( 4.619 -6.911 -4.825) 9.611 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 23.585 15.086 -0.178) 27.997 4.305 ( -6.881 -32.880 -30.163) 45.147 4.937 ( 27.275 -13.461 30.882) 43.346 6.013 ( -0.882 2.057 -1.510) 2.700 6.297 ( -2.082 -0.350 1.045) 2.356 6.389 ( -18.779 3.325 -18.133) 26.316 6.953 ( -6.165 10.050 17.946) 21.472 7.135 ( -7.065 3.931 11.661) 14.189 8.096 ( -0.285 -2.109 -4.970) 5.407 8.568 ( 10.047 6.321 -9.675) 15.314 8.736 ( 8.061 -1.504 14.529) 16.683 9.584 ( -6.129 -2.460 -15.181) 16.555 11.316 ( 10.797 -6.153 12.197) 17.413 11.752 ( -12.814 -0.306 -6.362) 14.310 12.945 ( 2.640 -4.097 3.346) 5.912 13.080 ( -7.811 -0.813 -3.091) 8.439 14.126 ( -3.970 18.203 0.406) 18.635 14.330 ( 8.416 5.466 2.978) 10.468 19.419 ( 10.875 -7.678 15.229) 20.227 20.309 ( -15.276 -0.088 -15.043) 21.440 20.704 ( 0.239 10.906 11.179) 15.619 20.959 ( -10.100 -2.701 6.920) 12.538 23.843 ( 2.581 -2.469 -3.688) 5.135 23.899 ( 4.714 -4.160 -5.689) 8.479 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 18.838 4.968 -15.485) 24.886 3.737 ( 5.495 -14.516 -23.572) 28.223 5.225 ( -9.707 1.901 5.084) 11.122 5.958 ( 6.842 -8.278 -3.430) 11.273 6.166 ( 0.594 -2.065 4.262) 4.772 6.249 ( -4.760 -0.446 -0.524) 4.809 7.003 ( -8.475 3.133 14.822) 17.359 7.109 ( -8.910 2.988 9.913) 13.660 7.945 ( -9.020 0.806 -3.886) 9.855 8.710 ( 4.826 5.136 -4.235) 8.222 9.000 ( 12.051 -4.759 2.599) 13.215 9.434 ( 1.921 2.564 -7.525) 8.179 11.465 ( -9.943 0.858 -5.057) 11.188 11.545 ( 7.314 -3.357 6.870) 10.581 12.890 ( -6.988 -1.275 -1.187) 7.202 13.022 ( 5.579 -8.144 5.132) 11.125 14.199 ( -6.570 14.176 1.327) 15.680 14.514 ( 5.483 3.094 4.079) 7.502 19.624 ( 8.612 -6.492 12.235) 16.310 19.927 ( -13.620 -1.685 -14.545) 19.998 20.773 ( -11.947 -4.317 10.886) 16.730 20.911 ( 1.359 8.714 8.734) 12.412 23.855 ( 3.896 -0.470 -5.075) 6.415 23.908 ( 3.925 -1.520 -5.869) 7.223 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -12.885 -15.704 -15.449) 25.521 4.274 ( 37.883 18.484 -19.535) 46.459 4.776 ( -36.961 12.290 -21.466) 44.475 6.020 ( 0.969 -11.025 7.107) 13.152 6.197 ( -1.324 -1.239 7.280) 7.503 6.299 ( 14.038 -7.351 8.710) 18.082 6.947 ( -10.505 -0.953 7.162) 12.750 6.985 ( -8.684 -4.196 11.700) 15.163 7.838 ( -6.530 7.677 -0.598) 10.096 8.776 ( 3.052 0.486 -6.949) 7.605 8.950 ( -6.352 -3.941 -2.227) 7.800 9.669 ( 18.427 4.879 -1.429) 19.116 11.218 ( -13.494 4.965 -8.995) 16.960 11.735 ( 10.404 -4.905 7.685) 13.833 12.769 ( -4.926 -1.262 0.800) 5.148 13.089 ( 8.302 -10.550 6.401) 14.873 14.202 ( -8.212 9.875 2.357) 13.058 14.617 ( 1.830 0.401 3.370) 3.856 19.450 ( -16.732 0.595 -12.715) 21.023 19.944 ( 13.303 -7.815 12.211) 19.676 20.565 ( -15.148 -5.295 12.511) 20.348 21.063 ( 3.234 4.339 5.062) 7.410 23.900 ( 4.786 2.170 -6.312) 8.213 23.924 ( 2.785 0.694 -5.519) 6.221 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -16.460 1.974 0.704) 16.593 4.062 ( -44.093 15.559 -26.120) 53.559 4.953 ( 36.931 13.837 -20.896) 44.632 5.905 ( -9.140 -8.035 13.002) 17.808 6.201 ( -5.016 -4.350 12.403) 14.069 6.451 ( 6.346 -5.421 -1.664) 8.510 6.747 ( -5.544 -9.482 7.824) 13.486 7.004 ( 1.818 -0.541 12.747) 12.887 7.841 ( -4.032 10.700 -1.251) 11.503 8.670 ( -3.828 -7.034 -9.592) 12.496 8.859 ( -4.393 2.542 2.449) 5.635 10.004 ( 18.023 3.274 -4.662) 18.902 11.011 ( -11.590 6.153 -6.546) 14.664 11.874 ( 7.646 -4.701 3.100) 9.496 12.724 ( -0.946 -1.184 4.255) 4.517 13.173 ( 9.450 -10.738 5.484) 15.320 14.147 ( -9.345 5.891 3.050) 11.461 14.620 ( -1.881 -2.756 0.870) 3.448 19.128 ( -14.188 3.214 -9.914) 17.604 20.135 ( 3.821 -8.742 12.334) 15.594 20.370 ( -7.209 -5.509 15.551) 18.004 21.164 ( 4.603 -0.621 0.451) 4.666 23.939 ( 1.431 2.126 -4.664) 5.321 23.979 ( 5.154 5.169 -7.449) 10.429 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.000 -6.984 37.596) 38.239 3.102 ( 0.000 -15.637 43.322) 46.058 5.128 ( -0.000 -35.598 -36.489) 50.977 5.925 ( -0.000 14.637 6.449) 15.995 6.322 ( -0.000 8.701 2.303) 9.001 6.952 ( 0.000 6.640 14.082) 15.569 7.013 ( 0.000 7.709 16.622) 18.323 7.318 ( -0.000 0.326 -10.628) 10.633 7.450 ( 0.000 -6.329 -1.374) 6.476 8.601 ( -0.000 4.579 -9.599) 10.635 8.647 ( 0.000 -2.402 5.859) 6.332 9.910 ( -0.000 -2.182 -18.060) 18.191 10.993 ( 0.000 -11.175 13.301) 17.373 12.120 ( 0.000 -5.098 0.875) 5.172 12.936 ( -0.000 2.110 -2.268) 3.098 13.562 ( -0.000 5.505 -2.597) 6.087 13.694 ( -0.000 8.585 -2.415) 8.918 14.046 ( -0.000 23.636 -2.449) 23.763 19.101 ( 0.000 -9.414 16.021) 18.582 20.358 ( 0.000 14.223 17.724) 22.725 20.972 ( -0.000 1.012 -11.379) 11.424 21.258 ( -0.000 0.762 -7.868) 7.904 23.807 ( 0.000 -10.061 -1.131) 10.125 23.839 ( 0.000 -4.721 -0.977) 4.821 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -15.308 -4.819 29.784) 33.832 3.720 ( 35.683 -16.329 38.511) 54.982 4.526 ( -2.318 -35.213 -34.192) 49.137 6.044 ( -0.822 6.131 1.129) 6.288 6.369 ( -2.928 7.287 -0.944) 7.910 7.011 ( -11.933 -0.701 -3.850) 12.558 7.140 ( -5.801 9.234 7.674) 13.334 7.222 ( 1.163 6.349 11.326) 13.036 7.606 ( 17.077 -0.939 1.198) 17.145 8.541 ( -3.308 1.157 -9.745) 10.356 8.675 ( 0.458 -0.243 7.790) 7.807 9.759 ( -3.421 -0.755 -16.114) 16.491 11.012 ( 5.757 -10.869 12.061) 17.227 12.049 ( -4.180 -3.071 -0.406) 5.203 12.927 ( -0.963 0.869 -2.015) 2.397 13.433 ( -12.364 4.611 -3.970) 13.780 13.928 ( 13.094 7.898 -1.286) 15.346 14.241 ( -1.289 20.265 -1.031) 20.332 19.146 ( 4.490 -9.828 15.687) 19.048 20.581 ( -1.284 10.958 12.425) 16.616 20.853 ( -6.539 3.508 -12.780) 14.778 21.191 ( -3.561 0.648 -3.889) 5.313 23.741 ( 3.366 -8.300 -0.703) 8.984 23.791 ( 0.697 -4.735 -1.138) 4.920 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 5.287 3.491 12.919) 14.389 3.904 ( -3.527 -27.626 -28.151) 39.599 4.442 ( 35.135 -19.420 34.317) 52.814 6.062 ( -2.015 3.125 0.773) 3.798 6.354 ( -3.841 1.987 -2.365) 4.929 6.650 ( -20.042 3.886 -17.075) 26.614 7.219 ( -4.051 3.913 12.614) 13.815 7.330 ( -3.116 6.162 7.874) 10.473 7.940 ( 17.577 1.907 2.055) 17.799 8.416 ( -1.825 -2.049 -9.468) 9.858 8.765 ( 2.440 1.775 10.643) 11.062 9.579 ( -5.968 0.151 -13.811) 15.046 11.128 ( 10.716 -9.374 11.133) 18.074 11.907 ( -9.266 -0.124 -3.792) 10.012 12.907 ( -0.021 -1.508 0.075) 1.510 13.234 ( -11.982 2.448 -4.215) 12.936 14.209 ( 12.031 6.166 0.292) 13.522 14.374 ( -3.312 15.868 -0.167) 16.210 19.261 ( 8.862 -9.859 15.314) 20.255 20.490 ( -15.110 3.354 -14.969) 21.532 20.851 ( 0.484 7.558 7.522) 10.675 21.109 ( -5.890 -0.008 1.515) 6.081 23.743 ( 5.015 -4.967 -1.514) 7.220 23.763 ( 1.761 -3.313 -1.369) 3.994 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 21.125 10.197 -3.839) 23.769 3.449 ( -5.015 -14.665 -19.171) 24.652 5.038 ( 30.754 -18.249 30.700) 47.130 6.001 ( -14.014 4.773 -12.311) 19.255 6.190 ( -5.927 -3.958 -1.222) 7.231 6.357 ( -8.766 7.084 -8.841) 14.324 7.223 ( -5.606 -0.802 10.534) 11.960 7.319 ( -7.731 0.379 5.221) 9.336 8.091 ( -5.465 4.226 2.774) 7.444 8.450 ( 16.384 -2.398 -13.098) 21.112 8.928 ( 5.323 2.228 13.820) 14.976 9.411 ( -4.443 1.577 -10.941) 11.913 11.317 ( 13.105 -7.932 10.216) 18.413 11.696 ( -13.014 3.228 -7.319) 15.276 12.902 ( 1.903 -4.461 2.598) 5.502 13.035 ( -10.175 0.231 -3.299) 10.699 14.434 ( -3.365 11.215 0.888) 11.743 14.440 ( 6.969 3.345 0.987) 7.793 19.441 ( 12.206 -9.732 15.014) 21.660 20.118 ( -18.770 3.050 -18.078) 26.238 20.945 ( -3.138 -0.134 7.451) 8.086 21.025 ( -4.320 2.006 3.669) 6.012 23.770 ( 2.838 -0.592 -1.650) 3.336 23.788 ( 5.061 -1.397 -2.518) 5.822 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -9.753 3.680 -2.848) 10.807 3.702 ( 33.623 13.387 -16.796) 39.898 5.320 ( -18.145 4.624 0.068) 18.726 5.700 ( 11.921 -13.832 -1.433) 18.316 6.203 ( 2.925 -1.652 6.106) 6.970 6.256 ( -4.480 2.833 -3.088) 6.135 7.130 ( -12.474 -6.621 4.508) 14.825 7.169 ( -6.162 -4.544 8.506) 11.444 8.042 ( -7.954 7.025 5.382) 11.899 8.565 ( 9.984 -4.132 -15.215) 18.661 9.081 ( -3.741 5.272 8.368) 10.574 9.414 ( 11.914 1.611 -4.926) 12.993 11.449 ( -12.380 5.342 -6.803) 15.102 11.535 ( 11.110 -6.233 6.684) 14.386 12.859 ( -7.162 -0.776 -1.072) 7.283 12.925 ( 4.189 -7.484 3.667) 9.328 14.427 ( -6.993 6.960 1.652) 10.004 14.576 ( 4.850 -0.404 1.030) 4.975 19.633 ( 1.370 -4.417 6.661) 8.109 19.755 ( -5.635 -1.231 -8.330) 10.132 20.822 ( -12.014 -3.749 9.460) 15.744 21.053 ( 2.115 -1.208 0.275) 2.452 23.824 ( 3.759 2.661 -2.265) 5.132 23.849 ( 4.011 1.692 -3.128) 5.361 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -12.562 20.915 13.047) 27.668 4.311 ( 37.248 12.926 -23.100) 45.696 4.772 ( -39.752 15.879 -21.626) 47.959 5.879 ( 11.377 -13.985 9.058) 20.176 6.207 ( 2.545 -0.271 -2.445) 3.539 6.324 ( 4.658 -5.112 12.757) 14.511 6.839 ( -14.024 -11.728 8.598) 20.203 7.089 ( -2.831 -5.473 5.099) 7.998 8.036 ( -6.524 8.601 6.438) 12.569 8.530 ( 3.623 -5.766 -13.191) 14.845 9.050 ( -9.720 7.862 2.543) 12.757 9.684 ( 18.727 0.345 -3.998) 19.152 11.245 ( -12.763 7.847 -6.902) 16.496 11.702 ( 9.760 -6.392 5.293) 12.811 12.760 ( -3.004 -1.278 1.303) 3.515 12.966 ( 7.019 -8.678 4.021) 11.863 14.360 ( -8.318 3.086 2.812) 9.307 14.601 ( 0.458 -4.162 -0.466) 4.213 19.368 ( -16.254 6.434 -10.662) 20.476 19.931 ( 14.928 -9.813 12.818) 21.988 20.622 ( -14.355 -4.944 11.915) 19.300 21.052 ( 3.577 -6.397 -3.911) 8.307 23.909 ( 2.521 4.007 -3.329) 5.788 23.917 ( 4.247 5.410 -3.307) 7.632 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 0.000 -11.261 31.672) 33.615 3.285 ( 0.000 -18.259 36.670) 40.964 4.018 ( -0.000 -28.852 -29.918) 41.563 6.121 ( -0.000 5.257 1.114) 5.374 6.438 ( -0.000 5.817 -5.346) 7.901 7.125 ( 0.000 -5.500 2.242) 5.939 7.209 ( -0.000 4.854 -10.124) 11.228 7.351 ( 0.000 4.350 9.620) 10.558 7.491 ( 0.000 6.193 9.342) 11.208 8.533 ( -0.000 2.100 -8.714) 8.964 8.704 ( 0.000 -1.661 8.577) 8.736 9.704 ( -0.000 2.354 -13.992) 14.189 10.922 ( 0.000 -11.662 11.289) 16.231 12.058 ( 0.000 -2.192 0.053) 2.192 12.927 ( -0.000 0.833 -3.364) 3.466 13.640 ( -0.000 4.945 -1.472) 5.159 13.797 ( -0.000 7.487 -5.891) 9.527 14.432 ( -0.000 17.122 -0.763) 17.139 19.105 ( 0.000 -10.632 15.267) 18.604 20.766 ( 0.000 7.924 10.176) 12.897 20.857 ( -0.000 4.016 -14.939) 15.469 21.197 ( -0.000 2.596 -6.682) 7.168 23.640 ( 0.000 -7.436 2.524) 7.853 23.736 ( 0.000 -4.507 0.242) 4.513 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -12.794 -9.672 23.284) 28.273 3.574 ( 0.619 -14.733 -16.485) 22.118 3.875 ( 31.736 -21.171 30.539) 48.868 6.145 ( -2.830 3.175 1.775) 4.609 6.419 ( -3.345 3.444 -5.589) 7.368 6.888 ( -15.313 0.986 -10.592) 18.646 7.275 ( 3.612 0.566 -1.509) 3.955 7.447 ( 1.227 2.852 2.030) 3.710 7.683 ( 12.206 0.207 6.026) 13.614 8.457 ( -6.256 1.828 -2.800) 7.093 8.782 ( 3.697 -0.221 8.772) 9.522 9.614 ( -4.825 4.296 -11.703) 13.367 10.944 ( 7.136 -10.470 10.605) 16.523 12.003 ( -4.505 -0.589 -1.713) 4.856 12.902 ( -0.900 -0.156 -2.871) 3.013 13.470 ( -15.009 4.203 -4.156) 16.131 14.027 ( 14.693 5.361 -3.337) 15.993 14.556 ( -1.794 12.698 -1.025) 12.865 19.137 ( 4.958 -10.895 14.716) 18.970 20.668 ( -12.167 4.637 -15.200) 20.014 20.914 ( 2.525 3.307 2.919) 5.082 21.173 ( -1.660 2.186 -4.110) 4.942 23.630 ( 3.184 -4.564 3.437) 6.541 23.712 ( 0.800 -2.690 1.600) 3.231 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 6.802 -2.033 7.094) 10.036 3.395 ( -4.207 4.037 -5.841) 8.253 4.447 ( 35.925 -24.075 31.202) 53.327 6.134 ( -2.425 1.871 2.503) 3.956 6.294 ( -10.439 -0.729 -6.970) 12.573 6.573 ( -15.605 8.156 -14.357) 22.719 7.282 ( -0.509 -4.044 0.465) 4.103 7.428 ( -3.881 -2.341 -2.156) 5.019 7.966 ( 20.213 -2.376 -3.398) 20.634 8.357 ( -8.716 3.165 5.201) 10.632 8.921 ( 6.004 0.147 8.739) 10.603 9.493 ( -7.519 6.450 -8.421) 13.002 11.082 ( 12.091 -8.740 9.751) 17.823 11.873 ( -9.185 2.003 -4.853) 10.580 12.866 ( -0.446 -2.086 -1.008) 2.359 13.226 ( -14.001 2.258 -4.564) 14.898 14.282 ( 12.480 2.415 -1.788) 12.837 14.605 ( -3.487 8.079 -0.982) 8.854 19.247 ( 9.633 -10.910 14.179) 20.320 20.352 ( -17.489 5.144 -18.228) 25.780 20.969 ( 1.690 -1.753 0.830) 2.573 21.123 ( -4.081 0.315 -1.030) 4.221 23.692 ( 4.647 -0.725 2.557) 5.353 23.733 ( 1.663 0.139 2.353) 2.885 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 23.560 4.939 -9.044) 25.715 3.445 ( -6.761 21.900 9.306) 24.736 4.980 ( 33.695 -24.610 25.792) 49.053 5.923 ( -25.556 6.722 -14.845) 30.310 6.164 ( 2.409 -2.044 4.361) 5.385 6.379 ( -8.665 6.928 -10.342) 15.167 7.188 ( -2.265 -9.692 -0.835) 9.988 7.261 ( -8.485 -6.995 -1.208) 11.063 8.208 ( 16.359 -3.766 -11.617) 20.414 8.304 ( -8.861 5.281 11.437) 15.401 9.103 ( 10.867 -1.298 6.934) 12.956 9.400 ( -8.133 10.133 -4.308) 13.689 11.284 ( 13.886 -7.545 8.713) 18.047 11.684 ( -12.171 4.891 -7.146) 14.937 12.838 ( 0.968 -4.346 0.857) 4.534 12.999 ( -11.187 0.498 -3.698) 11.793 14.455 ( 8.348 -1.305 -1.115) 8.522 14.587 ( -4.970 3.802 -0.182) 6.260 19.424 ( 13.328 -10.825 13.638) 21.928 19.982 ( -18.909 6.220 -17.088) 26.234 20.950 ( 1.502 -6.746 -2.143) 7.236 21.023 ( -7.245 -1.854 1.896) 7.715 23.792 ( 4.349 2.894 0.995) 5.317 23.798 ( 2.515 3.031 2.031) 4.432 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 33.299 8.453 -20.448) 39.980 3.679 ( -9.329 33.065 20.448) 39.980 5.414 ( -27.957 10.077 -20.301) 35.990 5.414 ( 22.705 -19.173 20.301) 35.990 6.249 ( -5.781 3.375 -8.069) 10.484 6.249 ( 5.813 -3.319 8.069) 10.484 7.020 ( -1.280 -14.456 -4.680) 15.248 7.020 ( -11.879 -8.337 4.680) 15.248 8.293 ( 8.216 -4.074 -13.033) 15.936 8.293 ( -7.636 5.078 13.033) 15.936 9.347 ( 6.440 3.450 -9.041) 11.625 9.347 ( -0.232 7.303 9.041) 11.625 11.488 ( -12.099 6.981 -6.715) 15.499 11.488 ( 12.095 -6.988 6.715) 15.499 12.829 ( -6.444 -0.286 -1.764) 6.687 12.829 ( 2.974 -5.724 1.764) 6.687 14.515 ( 2.884 -4.901 -2.057) 6.047 14.515 ( -5.686 0.047 2.057) 6.047 19.649 ( -15.698 7.474 -13.475) 21.997 19.649 ( 14.322 -9.857 13.475) 21.997 20.869 ( 2.771 -11.336 -8.609) 14.502 20.869 ( -11.203 -3.268 8.609) 14.502 23.896 ( 2.846 5.438 -0.587) 6.165 23.896 ( 3.286 5.183 0.587) 6.165 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 0.000 -11.014 16.836) 20.119 3.317 ( 0.000 -22.265 30.216) 37.533 3.532 ( 0.000 -2.546 4.255) 4.958 6.218 ( 0.000 2.690 2.377) 3.590 6.444 ( -0.000 3.761 -7.639) 8.515 6.985 ( -0.000 -5.402 -4.826) 7.244 7.188 ( -0.000 6.244 -9.335) 11.231 7.364 ( -0.000 -6.246 -7.322) 9.625 7.648 ( 0.000 -1.769 4.989) 5.294 8.566 ( -0.000 6.602 1.981) 6.893 8.779 ( 0.000 -3.158 9.830) 10.325 9.651 ( -0.000 7.813 -9.582) 12.363 10.847 ( 0.000 -9.917 10.449) 14.406 12.026 ( -0.000 -0.408 -1.408) 1.465 12.887 ( -0.000 0.022 -4.251) 4.251 13.709 ( -0.000 3.301 -0.467) 3.334 13.827 ( -0.000 5.021 -8.777) 10.112 14.663 ( -0.000 8.458 -2.234) 8.748 19.078 ( 0.000 -11.298 13.963) 17.962 20.741 ( -0.000 5.519 -17.942) 18.772 20.889 ( 0.000 -1.641 -0.058) 1.642 21.169 ( -0.000 2.572 -7.092) 7.544 23.600 ( 0.000 -2.675 6.931) 7.429 23.706 ( 0.000 -0.941 4.290) 4.392 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -10.523 -14.869 17.528) 25.279 3.573 ( 1.510 19.160 9.125) 21.276 3.824 ( 29.489 -22.753 28.679) 47.009 6.212 ( -4.003 0.311 2.260) 4.607 6.387 ( -4.724 2.690 -7.476) 9.244 6.785 ( -11.370 0.277 -9.598) 14.882 7.212 ( 0.845 -1.815 -8.250) 8.490 7.302 ( 7.476 -6.814 -12.382) 15.988 7.682 ( 7.245 -4.843 2.216) 8.992 8.584 ( -6.940 4.959 7.948) 11.659 8.859 ( 4.960 -2.736 6.742) 8.806 9.646 ( -4.994 10.920 -5.578) 13.240 10.890 ( 7.589 -8.293 9.734) 14.870 11.977 ( -4.503 0.858 -2.848) 5.397 12.850 ( -0.795 -0.685 -3.978) 4.114 13.482 ( -16.675 2.859 -4.954) 17.628 14.049 ( 15.265 1.941 -4.379) 15.999 14.695 ( -1.528 4.312 -2.767) 5.347 19.098 ( 5.259 -11.345 13.205) 18.186 20.550 ( -12.863 5.367 -17.979) 22.749 20.874 ( 2.914 -6.620 -5.294) 8.963 21.149 ( -0.359 2.486 -5.836) 6.353 23.660 ( 2.604 0.436 7.625) 8.069 23.746 ( 0.701 1.163 5.653) 5.813 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 8.391 -7.661 2.239) 11.581 3.909 ( -4.040 35.242 18.089) 39.819 4.303 ( 34.989 -28.234 26.995) 52.441 6.124 ( -4.960 -4.586 -2.539) 7.217 6.261 ( -9.254 5.306 -2.930) 11.062 6.534 ( -11.461 3.982 -13.341) 18.033 7.083 ( -1.988 -11.217 -8.016) 13.929 7.226 ( 0.525 -6.823 -10.977) 12.935 7.852 ( 15.203 -2.568 -2.262) 15.584 8.561 ( -7.561 2.338 12.108) 14.465 8.946 ( 6.521 -3.957 1.514) 7.776 9.649 ( -7.020 14.535 0.299) 16.145 11.045 ( 12.168 -7.088 8.580) 16.490 11.859 ( -8.539 2.970 -4.824) 10.248 12.802 ( -0.661 -2.002 -2.664) 3.397 13.202 ( -14.956 1.791 -5.297) 15.966 14.257 ( 11.758 -1.697 -3.105) 12.279 14.667 ( -2.751 0.831 -1.928) 3.460 19.200 ( 10.054 -11.211 12.312) 19.452 20.238 ( -16.615 6.270 -17.133) 24.677 20.779 ( 2.294 -11.635 -9.501) 15.196 21.122 ( -3.114 1.656 -0.990) 3.663 23.780 ( 3.518 3.904 6.032) 8.000 23.819 ( 1.382 2.895 5.244) 6.148 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 0.000 -26.731 25.605) 37.016 3.247 ( 0.000 -21.891 23.154) 31.864 3.997 ( -0.000 34.393 18.386) 38.999 6.267 ( 0.000 -0.920 0.048) 0.921 6.406 ( -0.000 3.833 -9.294) 10.053 6.772 ( 0.000 -10.010 -6.855) 12.132 7.002 ( -0.000 -12.642 -16.357) 20.673 7.216 ( -0.000 7.802 -7.737) 10.988 7.578 ( 0.000 -6.535 0.574) 6.560 8.743 ( -0.000 5.188 3.210) 6.101 8.812 ( 0.000 -6.390 9.280) 11.268 9.783 ( -0.000 14.128 -2.484) 14.345 10.810 ( 0.000 -7.146 9.624) 11.987 12.007 ( -0.000 0.971 -2.161) 2.369 12.822 ( -0.000 -0.294 -5.501) 5.509 13.754 ( -0.000 1.283 0.638) 1.433 13.766 ( -0.000 1.788 -11.200) 11.341 14.711 ( -0.000 0.996 -3.770) 3.899 19.024 ( 0.000 -11.350 12.350) 16.774 20.619 ( -0.000 6.329 -19.152) 20.170 20.694 ( 0.000 -12.724 -8.790) 15.465 21.137 ( -0.000 4.800 -7.418) 8.836 23.710 ( 0.000 2.260 10.576) 10.814 23.797 ( 0.000 1.911 7.129) 7.381 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -9.057 -20.937 14.552) 27.058 3.609 ( 32.620 -29.614 26.707) 51.520 4.484 ( -2.674 41.728 22.433) 47.452 6.147 ( -6.225 -6.747 -7.112) 11.613 6.345 ( -2.670 1.353 -11.050) 11.448 6.591 ( -4.700 -8.820 -3.535) 10.601 6.875 ( 8.078 -11.085 -14.264) 19.788 7.154 ( -7.821 3.377 -9.688) 12.901 7.630 ( 10.149 -1.563 1.954) 10.452 8.734 ( -4.616 -2.271 8.641) 10.057 8.839 ( 2.761 -3.366 0.672) 4.405 9.898 ( -3.575 16.497 1.987) 16.996 10.867 ( 7.180 -6.307 8.468) 12.769 11.969 ( -4.490 2.241 -2.631) 5.666 12.776 ( -0.642 -0.656 -5.446) 5.523 13.452 ( -16.581 1.601 -6.433) 17.857 13.998 ( 14.245 -1.492 -3.816) 14.822 14.676 ( -0.886 -1.462 -3.229) 3.653 19.036 ( 5.305 -11.108 11.459) 16.818 20.404 ( -9.462 -2.068 -15.137) 17.971 20.559 ( 0.562 -7.442 -15.276) 17.002 21.155 ( 0.340 5.182 -4.761) 7.045 23.829 ( 1.795 4.704 10.357) 11.516 23.867 ( 0.565 2.242 6.644) 7.035 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 0.000 -30.900 24.559) 39.471 3.034 ( 0.000 -29.090 22.439) 36.739 5.068 ( -0.000 43.316 21.921) 48.547 5.964 ( -0.000 -22.162 -23.342) 32.186 6.329 ( -0.000 2.862 -10.604) 10.983 6.548 ( -0.000 -11.754 -14.981) 19.042 6.586 ( 0.000 -5.616 9.003) 10.611 7.288 ( -0.000 8.947 -6.978) 11.347 7.504 ( 0.000 -1.597 1.751) 2.370 8.756 ( 0.000 -9.893 6.441) 11.805 8.810 ( -0.000 1.076 -1.208) 1.617 10.110 ( -0.000 17.285 3.704) 17.678 10.798 ( 0.000 -6.119 7.625) 9.777 12.021 ( -0.000 3.064 -1.166) 3.278 12.739 ( -0.000 -0.143 -6.731) 6.732 13.626 ( -0.000 -0.366 -12.055) 12.061 13.776 ( 0.000 -0.574 1.799) 1.888 14.638 ( -0.000 -2.888 -3.401) 4.462 18.957 ( 0.000 -10.703 10.901) 15.278 20.225 ( 0.000 -19.067 -13.904) 23.598 20.508 ( -0.000 6.827 -18.090) 19.335 21.177 ( -0.000 7.634 -5.497) 9.407 23.922 ( 0.000 1.355 6.245) 6.390 23.938 ( 0.000 5.694 12.247) 13.506 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 0.000 -0.000 46.361) 46.361 2.853 ( 0.000 -0.000 46.361) 46.361 3.601 ( 0.000 -0.000 59.520) 59.520 6.204 ( 0.000 -0.000 3.408) 3.408 6.204 ( 0.000 -0.000 3.408) 3.408 6.681 ( -0.000 0.000 -7.173) 7.173 6.681 ( -0.000 0.000 -7.173) 7.173 7.875 ( 0.000 0.000 0.692) 0.692 7.875 ( 0.000 -0.000 0.692) 0.692 8.445 ( -0.000 0.000 -21.158) 21.158 8.872 ( -0.000 0.000 -6.272) 6.272 10.438 ( -0.000 0.000 -21.249) 21.249 11.167 ( 0.000 -0.000 22.597) 22.597 12.653 ( 0.000 -0.000 2.503) 2.503 12.653 ( 0.000 -0.000 2.503) 2.503 12.685 ( -0.000 0.000 -2.562) 2.562 13.477 ( -0.000 0.000 -4.886) 4.886 13.477 ( -0.000 0.000 -4.886) 4.886 19.246 ( 0.000 -0.000 18.766) 18.766 19.246 ( 0.000 -0.000 18.766) 18.766 21.386 ( -0.000 0.000 -11.803) 11.803 21.386 ( -0.000 0.000 -11.803) 11.803 23.957 ( 0.000 -0.000 1.624) 1.624 24.242 ( -0.000 0.000 -2.105) 2.105 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -29.399 -16.974 48.155) 58.918 3.604 ( 22.071 12.743 41.921) 49.060 4.244 ( 17.493 10.100 52.567) 56.314 6.060 ( -5.926 -3.421 0.627) 6.872 6.396 ( 8.399 4.849 -16.311) 18.977 6.623 ( 0.388 0.224 10.420) 10.430 6.698 ( 1.271 0.734 -2.963) 3.307 7.638 ( -15.747 -9.092 -8.811) 20.206 7.901 ( 1.095 0.632 0.014) 1.265 8.400 ( 5.523 3.189 -16.851) 18.018 8.772 ( -5.757 -3.324 -0.599) 6.675 10.277 ( -2.203 -1.272 -21.765) 21.914 11.203 ( -6.606 -3.814 22.278) 23.547 12.490 ( -8.858 -5.114 -1.244) 10.304 12.835 ( 5.555 3.207 1.333) 6.551 12.865 ( 15.969 9.219 -1.177) 18.476 13.383 ( -2.791 -1.612 -5.794) 6.630 13.574 ( 8.611 4.971 -3.887) 10.675 19.255 ( -3.213 -1.855 18.405) 18.776 19.531 ( 7.581 4.377 20.557) 22.343 21.208 ( -5.777 -3.336 -14.341) 15.817 21.325 ( -1.961 -1.132 -8.324) 8.627 23.960 ( -0.552 -0.319 1.289) 1.438 24.198 ( -2.001 -1.155 -3.167) 3.921 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -13.836 -7.988 39.646) 42.744 4.338 ( 20.827 12.024 34.826) 42.322 4.934 ( 15.607 9.011 44.069) 47.611 5.970 ( -2.272 -1.312 0.697) 2.715 6.273 ( -2.796 -1.614 -28.204) 28.388 6.681 ( -1.936 -1.118 -1.711) 2.815 6.852 ( 6.134 3.541 18.468) 19.779 7.144 ( -19.622 -11.329 -15.938) 27.701 7.975 ( 7.024 4.055 -1.011) 8.173 8.405 ( 2.399 1.385 -12.985) 13.278 8.660 ( -5.057 -2.920 6.833) 8.988 10.068 ( -4.110 -2.373 -21.458) 21.976 11.231 ( -2.535 -1.463 20.251) 20.461 12.254 ( -10.946 -6.319 -3.665) 13.160 12.949 ( 3.830 2.211 3.547) 5.670 13.202 ( 12.184 7.035 -5.072) 14.955 13.285 ( -0.539 -0.311 -5.098) 5.136 13.796 ( 11.877 6.857 -0.817) 13.738 19.335 ( 0.024 0.014 17.954) 17.954 19.840 ( 8.171 4.717 20.704) 22.752 20.946 ( -8.891 -5.133 -16.452) 19.393 21.209 ( -5.147 -2.971 -2.339) 6.387 23.948 ( -0.822 -0.474 -0.027) 0.949 24.128 ( -1.678 -0.969 -5.223) 5.570 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 8.381 4.839 20.746) 22.892 4.914 ( 12.182 7.033 21.549) 25.734 5.399 ( 1.332 0.769 21.592) 21.647 5.975 ( 2.420 1.397 1.431) 3.139 6.053 ( 2.075 1.198 -17.028) 17.196 6.498 ( -13.719 -7.920 -12.347) 20.084 6.713 ( -8.371 -4.833 -2.386) 9.956 7.013 ( -2.085 -1.204 16.562) 16.736 8.225 ( 15.406 8.895 -3.040) 18.047 8.321 ( -2.992 -1.727 -11.760) 12.257 8.662 ( 0.255 0.147 13.037) 13.040 9.825 ( -5.581 -3.222 -20.380) 21.375 11.344 ( 1.624 0.937 17.889) 17.987 11.957 ( -12.412 -7.166 -6.800) 15.863 13.069 ( 4.036 2.330 7.142) 8.528 13.135 ( -4.643 -2.680 -5.544) 7.712 13.484 ( 10.659 6.154 -4.588) 13.135 14.067 ( 11.331 6.542 2.416) 13.305 19.481 ( 2.820 1.628 17.610) 17.909 20.153 ( 8.327 4.808 19.320) 21.581 20.606 ( -11.618 -6.708 -17.894) 22.365 21.071 ( -7.438 -4.295 3.110) 9.135 23.926 ( -0.447 -0.258 -2.099) 2.161 24.062 ( -0.679 -0.392 -7.047) 7.090 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 25.589 14.774 1.766) 29.600 4.989 ( -11.117 -6.418 -8.369) 15.324 5.142 ( -17.643 -10.186 -20.367) 28.808 6.120 ( 7.044 4.067 6.578) 10.460 6.193 ( -3.831 -2.212 -5.003) 6.678 6.288 ( 12.717 7.342 15.844) 21.602 6.592 ( -5.766 -3.329 7.430) 9.977 6.994 ( -7.500 -4.330 14.455) 16.851 8.124 ( -8.071 -4.660 -10.441) 13.996 8.510 ( 9.715 5.609 -2.446) 11.481 8.890 ( 13.139 7.586 12.688) 19.778 9.564 ( -6.710 -3.874 -18.480) 20.038 11.520 ( 4.341 2.506 15.829) 16.604 11.623 ( -12.531 -7.235 -9.502) 17.311 12.989 ( -5.466 -3.156 -4.252) 7.610 13.219 ( 4.134 2.387 10.700) 11.717 13.649 ( 6.676 3.854 -4.020) 8.694 14.317 ( 8.682 5.013 4.908) 11.163 19.671 ( 3.875 2.237 16.078) 16.689 20.215 ( -12.473 -7.201 -16.953) 22.245 20.453 ( 8.213 4.742 16.601) 19.119 20.913 ( -9.705 -5.603 7.389) 13.423 23.906 ( 0.661 0.382 -4.629) 4.692 24.009 ( 0.196 0.113 -8.037) 8.040 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 33.065 19.090 -11.249) 39.802 4.451 ( -23.397 -13.508 -25.355) 37.051 4.539 ( -20.381 -11.767 -28.129) 36.675 6.154 ( -0.272 -0.157 6.742) 6.749 6.281 ( -0.178 -0.103 0.859) 0.883 6.596 ( 1.560 0.901 12.824) 12.950 6.650 ( 7.603 4.389 18.477) 20.457 6.902 ( -6.477 -3.739 12.149) 14.266 7.849 ( -10.673 -6.162 -7.481) 14.417 8.660 ( 4.926 2.844 1.301) 5.834 9.292 ( -7.847 -4.531 -15.651) 18.085 9.323 ( 18.544 10.706 5.777) 22.178 11.291 ( -10.992 -6.346 -10.937) 16.754 11.726 ( 5.471 3.159 13.046) 14.495 12.847 ( -5.177 -2.989 -2.056) 6.321 13.381 ( 3.393 1.959 13.026) 13.603 13.740 ( 3.635 2.099 -3.037) 5.181 14.508 ( 5.126 2.959 6.169) 8.549 19.668 ( -10.926 -6.308 -10.904) 16.675 20.030 ( 3.011 1.738 10.988) 11.525 20.710 ( -3.065 -1.769 8.628) 9.326 20.743 ( -1.284 -0.741 14.892) 14.966 23.900 ( 2.209 1.275 -7.367) 7.796 23.969 ( 0.781 0.451 -8.150) 8.200 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( -26.219 -15.138 -28.247) 41.406 3.725 ( -19.285 -11.134 -26.149) 34.346 4.374 ( 33.117 19.120 -20.413) 43.347 6.179 ( -9.604 -5.545 9.849) 14.832 6.220 ( 0.606 0.350 9.928) 9.952 6.686 ( -10.251 -5.918 16.134) 20.010 6.693 ( -0.029 -0.017 1.089) 1.089 7.041 ( 8.777 5.067 10.640) 14.694 7.601 ( -7.315 -4.223 -2.586) 8.833 8.758 ( 2.878 1.661 1.770) 3.765 9.016 ( -8.962 -5.174 -11.777) 15.677 9.753 ( 17.631 10.179 0.718) 20.371 11.006 ( -8.159 -4.710 -10.467) 14.082 11.911 ( 4.642 2.680 7.938) 9.578 12.748 ( -3.209 -1.853 1.881) 4.155 13.526 ( 1.813 1.047 13.543) 13.704 13.779 ( 1.367 0.789 -2.174) 2.686 14.620 ( 1.361 0.786 5.817) 6.026 19.290 ( -12.642 -7.299 -15.012) 20.939 20.255 ( 6.351 3.667 17.816) 19.267 20.493 ( -14.653 -8.460 12.132) 20.820 20.973 ( 7.281 4.204 9.621) 12.776 23.912 ( 3.737 2.158 -10.060) 10.947 23.940 ( 1.089 0.629 -7.510) 7.615 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 0.000 -15.264 45.115) 47.627 3.433 ( 0.000 -13.442 48.569) 50.395 4.723 ( 0.000 32.341 45.199) 55.578 6.118 ( -0.000 0.624 -3.983) 4.032 6.183 ( -0.000 -4.403 -22.062) 22.497 6.692 ( 0.000 2.345 14.746) 14.931 6.716 ( 0.000 2.887 3.216) 4.322 7.666 ( -0.000 -14.203 -12.148) 18.690 7.768 ( 0.000 -6.383 -3.531) 7.295 8.330 ( -0.000 12.159 -15.641) 19.812 8.779 ( 0.000 -4.453 1.092) 4.585 10.139 ( -0.000 -1.940 -22.174) 22.258 11.322 ( 0.000 -10.450 20.882) 23.351 12.446 ( 0.000 -11.323 -0.503) 11.334 12.799 ( -0.000 5.663 -0.522) 5.687 12.984 ( -0.000 23.719 2.233) 23.824 13.403 ( -0.000 2.540 -5.722) 6.260 13.486 ( -0.000 5.364 -6.096) 8.120 19.337 ( 0.000 -8.371 19.531) 21.249 19.695 ( 0.000 11.909 21.029) 24.167 21.129 ( -0.000 -4.707 -13.898) 14.673 21.280 ( -0.000 1.969 -12.138) 12.297 23.965 ( 0.000 -1.544 1.475) 2.135 24.161 ( 0.000 -5.444 -2.461) 5.975 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -27.380 -12.390 45.473) 54.506 4.040 ( 33.722 -12.528 42.445) 55.639 5.283 ( 1.372 24.515 33.440) 41.486 5.929 ( 1.186 -11.251 -23.232) 25.840 6.095 ( -2.095 1.478 -10.315) 10.629 6.749 ( -3.122 3.367 5.779) 7.381 6.905 ( 6.120 4.367 19.201) 20.620 7.263 ( -16.853 -9.086 -16.065) 24.993 7.794 ( 9.968 -6.155 -4.907) 12.701 8.360 ( 0.108 10.114 -13.337) 16.739 8.732 ( -2.414 -3.787 5.996) 7.491 9.960 ( -2.211 -2.334 -21.704) 21.941 11.333 ( -0.580 -9.595 19.363) 21.617 12.297 ( -5.363 -9.183 -2.464) 10.916 12.872 ( 3.898 1.738 0.294) 4.278 13.263 ( 2.316 24.756 1.004) 24.884 13.312 ( -5.642 2.286 -6.150) 8.653 13.652 ( 11.996 8.088 -3.996) 15.010 19.392 ( 1.790 -7.787 19.492) 21.066 19.971 ( 2.543 11.961 20.771) 24.104 20.939 ( -6.747 -3.023 -16.135) 17.748 21.215 ( -1.238 0.535 -8.769) 8.873 23.948 ( -0.520 -2.488 0.670) 2.629 24.080 ( -0.307 -6.466 -3.034) 7.149 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -12.927 -4.949 35.475) 38.079 4.709 ( 27.716 -9.492 32.068) 43.435 5.381 ( -2.931 -20.676 -13.596) 24.919 5.898 ( 8.109 5.987 -0.852) 10.115 6.050 ( -2.726 10.271 0.730) 10.652 6.691 ( -17.079 2.349 -6.714) 18.501 6.821 ( -9.299 -0.699 -1.492) 9.444 7.146 ( 0.492 2.006 17.580) 17.701 7.948 ( 16.377 -1.219 -4.482) 17.023 8.339 ( -2.568 7.254 -12.351) 14.552 8.731 ( -0.281 -2.066 11.283) 11.474 9.748 ( -4.160 -2.464 -20.551) 21.112 11.390 ( 3.163 -7.072 17.663) 19.287 12.054 ( -11.151 -6.230 -6.117) 14.162 12.967 ( 6.631 -2.582 2.999) 7.722 13.186 ( -5.973 1.203 -6.198) 8.692 13.538 ( 1.555 22.388 0.568) 22.449 13.938 ( 13.346 8.388 -0.791) 15.783 19.501 ( 4.953 -6.795 19.339) 21.088 20.257 ( 3.045 10.348 18.375) 21.308 20.650 ( -11.435 -1.758 -17.582) 21.047 21.137 ( -3.345 -0.980 -3.089) 4.657 23.911 ( -0.607 -2.781 -1.010) 3.020 23.998 ( 0.396 -5.308 -4.559) 7.008 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 6.854 5.095 17.354) 19.341 4.747 ( -4.971 -30.938 -27.347) 41.590 5.270 ( 4.504 -3.133 12.394) 13.554 5.961 ( 5.253 0.155 -6.184) 8.115 6.213 ( 0.726 3.131 1.183) 3.425 6.346 ( -7.336 0.136 -1.033) 7.409 6.825 ( -6.703 11.117 13.937) 19.046 7.194 ( -6.685 -0.623 14.698) 16.159 8.102 ( 0.970 -2.563 -8.526) 8.956 8.368 ( 9.775 8.493 -7.482) 14.955 8.848 ( 6.370 -0.152 14.765) 16.081 9.518 ( -5.494 -2.139 -18.625) 19.536 11.521 ( 6.420 -4.986 15.819) 17.785 11.739 ( -14.241 -3.784 -9.400) 17.478 13.025 ( -3.281 -1.833 -2.615) 4.578 13.114 ( 6.232 -4.603 3.569) 8.530 13.749 ( -1.466 20.113 0.768) 20.181 14.229 ( 11.536 6.793 2.129) 13.556 19.668 ( 7.325 -5.833 18.789) 20.993 20.249 ( -12.337 -4.415 -16.850) 21.345 20.563 ( 1.691 11.139 14.418) 18.298 21.041 ( -6.066 -2.309 2.217) 6.859 23.866 ( -0.013 -2.191 -3.302) 3.962 23.935 ( 1.164 -3.335 -6.127) 7.073 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 22.720 12.807 -0.978) 26.099 4.109 ( -7.667 -34.323 -31.164) 46.990 5.019 ( -31.591 11.349 -19.840) 38.992 6.161 ( 15.603 -4.844 5.449) 17.222 6.187 ( 0.101 -0.413 3.683) 3.708 6.382 ( 7.289 -10.397 8.838) 15.471 6.949 ( -5.528 13.261 14.954) 20.737 7.131 ( -10.378 0.204 13.592) 17.102 7.929 ( -9.029 -2.391 -7.341) 11.880 8.581 ( 9.213 5.234 -4.688) 11.587 9.104 ( 11.200 -2.262 6.926) 13.361 9.319 ( -2.239 2.641 -11.300) 11.819 11.399 ( -14.520 -1.690 -11.211) 18.422 11.699 ( 7.851 -3.388 13.161) 15.695 12.901 ( -5.698 -1.262 -2.634) 6.403 13.237 ( 10.498 -9.547 7.546) 16.072 13.891 ( -4.370 17.818 1.790) 18.434 14.469 ( 7.986 4.387 4.092) 9.989 19.745 ( -9.958 -3.485 -6.615) 12.453 19.986 ( 4.813 -6.591 7.228) 10.902 20.793 ( 2.489 9.430 11.941) 15.418 20.914 ( -8.787 -3.873 7.355) 12.096 23.831 ( 1.109 -0.739 -5.884) 6.033 23.894 ( 1.630 -1.319 -7.118) 7.421 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -7.117 -25.915 -23.977) 36.015 3.817 ( 27.988 14.318 -16.259) 35.394 4.373 ( -38.029 12.769 -27.637) 48.714 6.207 ( 0.280 -4.658 4.468) 6.461 6.268 ( 1.855 -1.839 4.033) 4.806 6.562 ( 13.209 -11.401 12.915) 21.708 6.989 ( -11.367 2.039 14.298) 18.380 7.083 ( -4.407 3.161 10.137) 11.497 7.725 ( -9.370 1.519 -2.793) 9.894 8.712 ( 5.498 2.267 -3.713) 7.011 9.010 ( -5.928 -5.035 -9.689) 12.425 9.559 ( 16.481 6.503 3.094) 17.986 11.093 ( -12.445 0.747 -11.065) 16.670 11.867 ( 6.901 -2.815 8.615) 11.391 12.800 ( -3.743 -1.288 1.013) 4.086 13.360 ( 10.771 -12.376 7.793) 18.164 13.973 ( -6.650 15.058 3.028) 16.737 14.625 ( 3.686 1.581 4.589) 6.095 19.378 ( -15.284 -2.894 -15.533) 21.983 20.194 ( 11.836 -6.575 18.110) 22.612 20.734 ( -12.531 -4.372 9.521) 16.333 21.000 ( 3.494 6.021 9.399) 11.697 23.817 ( 2.303 1.372 -8.403) 8.820 23.873 ( 1.768 0.389 -7.294) 7.515 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 0.000 -11.382 43.088) 44.566 3.733 ( 0.000 -17.912 47.275) 50.554 5.505 ( -0.000 -26.084 -35.700) 44.214 5.671 ( 0.000 18.689 19.326) 26.884 6.149 ( -0.000 8.702 -4.505) 9.799 6.916 ( 0.000 6.394 16.514) 17.708 6.995 ( 0.000 5.159 16.684) 17.463 7.267 ( -0.000 -4.613 -15.461) 16.134 7.562 ( -0.000 -7.265 -7.022) 10.104 8.384 ( -0.000 10.537 -13.340) 16.999 8.754 ( 0.000 -3.812 7.638) 8.536 9.823 ( -0.000 -1.808 -20.935) 21.013 11.332 ( 0.000 -13.240 17.461) 21.913 12.245 ( 0.000 -7.871 -1.454) 8.004 12.872 ( -0.000 3.043 -1.129) 3.246 13.426 ( -0.000 6.122 -4.454) 7.571 13.484 ( -0.000 16.347 0.833) 16.368 13.563 ( -0.000 18.178 -5.599) 19.021 19.409 ( 0.000 -10.110 19.754) 22.191 20.210 ( 0.000 13.337 19.992) 24.032 20.882 ( -0.000 -1.095 -15.933) 15.971 21.167 ( -0.000 2.272 -11.761) 11.978 23.925 ( 0.000 -4.065 0.684) 4.122 23.990 ( 0.000 -8.935 -1.391) 9.043 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -25.830 -11.613 41.395) 50.156 4.291 ( 32.537 -16.010 39.052) 53.292 4.969 ( -0.786 -32.337 -35.174) 47.786 5.908 ( 2.155 8.914 3.400) 9.780 6.199 ( -1.829 9.872 -0.622) 10.060 6.937 ( -16.898 -0.492 -16.540) 23.651 7.029 ( -5.955 9.466 17.051) 20.392 7.241 ( 3.455 2.534 15.585) 16.164 7.626 ( 15.732 -2.271 -4.487) 16.516 8.372 ( -2.071 7.905 -13.623) 15.886 8.776 ( 0.119 -2.949 10.867) 11.261 9.660 ( -2.516 -0.956 -19.550) 19.735 11.336 ( 3.530 -12.801 16.060) 20.839 12.115 ( -6.195 -5.177 -3.947) 8.986 12.901 ( 1.815 0.805 0.128) 1.990 13.306 ( -9.918 5.015 -6.085) 12.671 13.735 ( 9.308 13.873 0.160) 16.707 13.812 ( 5.064 19.795 -2.042) 20.535 19.462 ( 3.618 -10.619 19.647) 22.624 20.454 ( -0.453 11.170 15.764) 19.326 20.708 ( -7.277 1.644 -16.097) 17.742 21.126 ( 0.356 1.955 -8.819) 9.040 23.880 ( -0.433 -4.695 -0.004) 4.715 23.901 ( 0.643 -8.306 -1.240) 8.422 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -12.080 -5.923 30.308) 33.160 4.298 ( -2.901 -32.725 -34.357) 47.537 5.004 ( 30.152 -15.099 33.389) 47.455 5.957 ( -3.544 6.604 -7.558) 10.644 6.263 ( -0.554 5.342 -0.386) 5.384 6.509 ( -18.647 -0.622 -14.698) 23.751 7.140 ( -5.409 11.597 15.019) 19.731 7.343 ( -1.056 -0.580 9.646) 9.721 7.915 ( 16.017 1.938 0.891) 16.159 8.304 ( -1.904 5.097 -13.395) 14.458 8.855 ( 2.926 -1.820 14.106) 14.521 9.475 ( -4.590 -0.078 -17.733) 18.318 11.415 ( 7.842 -11.041 14.764) 20.034 11.886 ( -12.288 -1.768 -7.949) 14.741 12.955 ( 4.449 -2.621 2.936) 5.940 13.149 ( -8.560 2.806 -5.827) 10.729 13.994 ( -0.527 20.492 2.386) 20.637 14.089 ( 13.079 8.830 -1.605) 15.862 19.577 ( 7.567 -10.625 19.562) 23.512 20.345 ( -13.918 0.553 -17.658) 22.490 20.738 ( 1.028 10.294 12.313) 16.082 21.093 ( -1.533 0.989 -3.942) 4.344 23.825 ( -0.404 -3.996 -1.251) 4.207 23.839 ( 1.429 -5.770 -2.303) 6.375 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 5.869 2.464 12.762) 14.261 3.711 ( -5.168 -27.891 -30.719) 41.812 5.435 ( -3.246 1.154 12.098) 12.579 5.826 ( 5.186 -3.340 -10.021) 11.767 6.222 ( -3.564 -0.179 0.903) 3.681 6.299 ( 0.001 -3.431 -0.325) 3.446 7.235 ( -5.647 8.323 10.983) 14.893 7.347 ( -4.715 -0.427 9.200) 10.347 8.025 ( -5.962 3.203 -2.088) 7.083 8.367 ( 13.886 2.431 -10.226) 17.416 9.016 ( 6.006 -1.321 14.367) 15.628 9.299 ( -3.483 1.441 -14.440) 14.924 11.557 ( 5.841 -7.517 9.483) 13.436 11.592 ( -10.838 -0.095 -7.281) 13.057 12.984 ( -5.829 0.158 -1.919) 6.139 13.049 ( 5.282 -5.776 2.816) 8.318 14.153 ( -3.894 17.727 2.102) 18.271 14.369 ( 11.573 5.216 1.114) 12.743 19.748 ( 8.825 -9.609 18.039) 22.262 19.971 ( -14.595 -0.811 -18.104) 23.268 20.921 ( 1.509 7.378 10.025) 12.539 21.035 ( -4.746 -0.538 1.016) 4.884 23.780 ( 0.097 -1.826 -2.826) 3.366 23.808 ( 1.945 -2.641 -3.741) 4.975 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -5.610 -10.937 -15.481) 19.768 3.415 ( 19.992 5.784 -8.634) 22.531 4.993 ( -37.728 14.888 -24.441) 47.354 6.085 ( 19.088 -14.125 11.309) 26.302 6.200 ( -1.551 -1.152 -0.633) 2.033 6.329 ( 8.442 -5.165 9.543) 13.749 7.224 ( -7.921 0.570 6.828) 10.473 7.298 ( -7.138 -1.598 10.340) 12.665 7.915 ( -10.182 7.192 0.727) 12.487 8.529 ( 11.006 -1.142 -11.277) 15.799 9.049 ( -5.980 0.899 -2.269) 6.459 9.366 ( 13.352 1.819 2.517) 13.709 11.284 ( -15.074 4.367 -10.912) 19.114 11.733 ( 10.019 -7.296 9.516) 15.626 12.865 ( -5.305 -0.565 -0.942) 5.418 13.127 ( 8.422 -9.917 5.605) 14.167 14.238 ( -5.698 13.530 2.507) 14.893 14.575 ( 7.173 1.859 2.332) 7.768 19.545 ( -17.223 1.238 -16.151) 23.644 19.999 ( 13.702 -11.122 17.615) 24.934 20.930 ( -8.531 -1.994 5.196) 10.186 21.053 ( 2.118 2.819 5.939) 6.907 23.761 ( 0.872 1.370 -4.516) 4.799 23.803 ( 2.047 0.349 -4.831) 5.259 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 0.000 -13.188 37.784) 40.020 3.929 ( 0.000 -21.024 42.563) 47.472 4.414 ( -0.000 -32.721 -36.734) 49.194 5.995 ( -0.000 8.331 0.482) 8.345 6.284 ( -0.000 7.137 -2.688) 7.626 7.035 ( -0.000 4.259 -15.288) 15.870 7.230 ( 0.000 -3.710 2.156) 4.291 7.334 ( 0.000 4.586 12.416) 13.236 7.432 ( 0.000 5.770 9.400) 11.030 8.379 ( -0.000 7.019 -13.021) 14.793 8.816 ( 0.000 -3.009 11.859) 12.235 9.565 ( -0.000 1.224 -17.965) 18.007 11.264 ( 0.000 -14.568 14.830) 20.789 12.103 ( -0.000 -3.599 -3.679) 5.147 12.895 ( -0.000 0.863 -1.008) 1.327 13.511 ( -0.000 6.975 -2.730) 7.490 13.593 ( -0.000 8.743 -7.880) 11.770 14.038 ( -0.000 23.006 1.214) 23.038 19.442 ( 0.000 -12.144 19.354) 22.848 20.669 ( 0.000 9.904 14.300) 17.395 20.681 ( -0.000 2.691 -18.482) 18.677 21.080 ( -0.000 3.842 -10.596) 11.271 23.812 ( 0.000 -8.548 1.230) 8.636 23.836 ( 0.000 -5.363 0.784) 5.420 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -23.404 -15.063 34.654) 44.447 3.827 ( -2.409 -26.576 -31.070) 40.956 4.499 ( 34.058 -20.160 35.896) 53.431 6.050 ( -2.341 7.396 -1.679) 7.937 6.313 ( -0.950 4.280 -2.949) 5.284 6.752 ( -19.659 2.972 -16.682) 25.954 7.282 ( 7.747 -2.128 -3.297) 8.684 7.395 ( -2.857 5.530 7.949) 10.096 7.708 ( 12.709 2.387 10.432) 16.614 8.340 ( -3.869 6.410 -9.574) 12.154 8.882 ( 1.909 -2.492 13.436) 13.798 9.450 ( -3.361 3.106 -16.262) 16.894 11.263 ( 5.690 -13.866 13.880) 20.428 11.992 ( -6.821 -1.030 -6.319) 9.355 12.903 ( 1.400 -0.943 0.348) 1.723 13.339 ( -13.398 5.828 -5.781) 15.713 13.875 ( 16.622 7.869 -3.941) 18.808 14.240 ( -1.179 19.267 0.589) 19.312 19.480 ( 4.575 -12.787 18.997) 23.352 20.475 ( -11.872 3.586 -18.893) 22.600 20.857 ( 2.838 6.236 8.381) 10.825 21.074 ( 1.137 4.024 -7.920) 8.956 23.756 ( 0.884 -6.418 1.928) 6.759 23.791 ( -0.387 -4.365 1.236) 4.553 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -10.058 -10.005 23.804) 27.711 3.398 ( -3.709 -13.489 -22.685) 26.652 5.090 ( 33.261 -20.823 31.831) 50.528 6.007 ( -12.719 10.673 -10.420) 19.602 6.288 ( -2.724 -0.823 -4.257) 5.120 6.351 ( -14.855 2.819 -9.652) 17.938 7.351 ( 3.863 -2.427 -0.194) 4.566 7.423 ( -2.898 2.439 1.485) 4.069 7.997 ( 15.590 -1.201 2.749) 15.876 8.267 ( -7.428 7.298 -2.617) 10.736 9.006 ( 4.994 -1.737 13.657) 14.645 9.311 ( -5.737 4.591 -14.119) 15.917 11.360 ( 10.404 -12.062 12.617) 20.320 11.782 ( -12.482 2.304 -9.442) 15.820 12.929 ( 3.255 -3.830 2.412) 5.575 13.140 ( -11.207 3.260 -5.362) 12.845 14.193 ( 15.081 5.527 -1.771) 16.159 14.377 ( -2.573 14.912 0.131) 15.133 19.590 ( 9.128 -13.081 18.661) 24.549 20.141 ( -16.633 3.764 -19.869) 26.184 20.985 ( 2.502 1.987 4.860) 5.816 21.075 ( -0.540 2.700 -4.692) 5.441 23.741 ( 1.478 -2.985 1.118) 3.513 23.760 ( -0.485 -1.766 1.177) 2.177 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( -3.343 3.936 -8.356) 9.823 3.182 ( 5.080 -0.927 8.356) 9.823 5.591 ( -27.252 11.111 -26.809) 39.810 5.591 ( 23.249 -18.045 26.809) 39.810 6.241 ( -3.438 1.402 -4.640) 5.943 6.241 ( 2.933 -2.277 4.640) 5.943 7.350 ( -3.910 -3.685 -2.405) 5.887 7.350 ( -1.236 -5.229 2.405) 5.887 8.217 ( 12.563 -2.748 -10.222) 16.428 8.217 ( -8.661 9.506 10.222) 16.428 9.185 ( -2.473 4.760 -12.807) 13.885 9.185 ( 5.359 0.239 12.807) 13.885 11.521 ( -14.601 5.444 -10.597) 18.845 11.521 ( 12.015 -9.923 10.597) 18.845 12.964 ( -7.850 0.367 -3.762) 8.713 12.964 ( 4.243 -6.615 3.762) 8.713 14.446 ( 11.062 1.891 -0.280) 11.226 14.446 ( -3.893 10.525 0.280) 11.226 19.764 ( -17.361 4.146 -18.364) 25.609 19.764 ( 12.271 -12.962 18.364) 25.609 21.040 ( -1.653 -0.557 -2.174) 2.787 21.040 ( 0.344 -1.710 2.174) 2.787 23.759 ( 1.598 0.691 -0.467) 1.802 23.759 ( -0.201 1.729 0.467) 1.802 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -0.000 -13.627 -21.543) 25.491 3.942 ( 0.000 -17.708 32.384) 36.909 3.990 ( 0.000 -24.413 36.256) 43.710 6.139 ( -0.000 6.915 0.159) 6.916 6.335 ( -0.000 3.220 -4.659) 5.663 6.968 ( -0.000 8.385 -14.830) 17.037 7.031 ( -0.000 -4.608 -10.167) 11.162 7.430 ( 0.000 -3.834 -2.692) 4.685 7.709 ( 0.000 0.917 12.001) 12.036 8.415 ( -0.000 9.206 -2.404) 9.515 8.920 ( 0.000 -3.578 13.871) 14.325 9.430 ( -0.000 6.509 -14.683) 16.061 11.161 ( 0.000 -14.134 13.312) 19.416 12.004 ( -0.000 -0.019 -6.486) 6.486 12.882 ( 0.000 -1.184 -0.589) 1.322 13.614 ( -0.000 5.955 -1.076) 6.051 13.641 ( -0.000 7.668 -10.052) 12.643 14.418 ( -0.000 15.427 -0.899) 15.453 19.429 ( 0.000 -13.758 18.259) 22.862 20.511 ( -0.000 5.178 -20.397) 21.044 20.883 ( -0.000 2.464 0.212) 2.473 21.063 ( -0.000 3.975 -5.850) 7.072 23.714 ( 0.000 -4.986 4.820) 6.934 23.772 ( 0.000 -3.177 3.599) 4.801 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -2.303 2.676 -7.179) 8.000 3.525 ( -21.566 -16.476 27.310) 38.502 4.503 ( 33.314 -24.446 31.892) 52.197 6.176 ( -3.185 5.636 0.971) 6.546 6.306 ( -2.502 1.265 -6.045) 6.664 6.631 ( -20.449 5.428 -15.098) 25.992 7.176 ( 10.800 0.047 -8.758) 13.905 7.370 ( 3.991 -6.508 -9.828) 12.445 7.800 ( 5.825 -4.499 6.378) 9.740 8.478 ( -4.345 10.039 4.579) 11.858 8.991 ( 2.490 -4.218 12.298) 13.237 9.387 ( -4.004 9.586 -11.615) 15.583 11.168 ( 6.693 -12.782 12.460) 19.064 11.910 ( -6.628 2.172 -8.311) 10.850 12.871 ( 1.105 -2.735 0.079) 2.951 13.370 ( -15.628 4.881 -6.235) 17.520 13.952 ( 17.417 5.227 -4.087) 18.638 14.527 ( -1.098 11.117 -2.130) 11.372 19.450 ( 5.099 -14.190 17.525) 23.119 20.315 ( -12.549 5.695 -20.075) 24.350 20.935 ( 4.418 -0.617 -2.243) 4.993 21.054 ( 0.849 1.669 -7.740) 7.963 23.719 ( 0.621 -2.067 5.602) 6.003 23.776 ( -0.474 -0.791 4.996) 5.081 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -0.000 21.595 4.458) 22.050 3.908 ( 0.000 -27.671 30.770) 41.382 3.969 ( 0.000 -20.268 30.353) 36.498 6.255 ( -0.000 3.038 -0.012) 3.038 6.305 ( -0.000 1.743 -5.679) 5.941 6.830 ( -0.000 -2.711 -10.892) 11.224 6.969 ( -0.000 9.601 -14.103) 17.061 7.148 ( -0.000 -10.995 -13.484) 17.399 7.737 ( 0.000 -7.958 4.776) 9.281 8.631 ( -0.000 8.706 3.574) 9.411 9.008 ( 0.000 -6.066 13.848) 15.118 9.468 ( -0.000 14.071 -9.120) 16.769 11.067 ( 0.000 -11.953 12.154) 17.046 11.937 ( -0.000 2.814 -8.252) 8.719 12.832 ( 0.000 -2.919 -0.974) 3.077 13.624 ( -0.000 4.927 -12.141) 13.103 13.708 ( -0.000 3.916 0.604) 3.962 14.605 ( -0.000 7.220 -3.990) 8.249 19.374 ( 0.000 -14.620 16.620) 22.136 20.365 ( -0.000 6.546 -20.396) 21.421 20.840 ( -0.000 -5.171 -4.916) 7.135 20.995 ( -0.000 2.103 -11.276) 11.470 23.749 ( 0.000 -0.017 8.222) 8.222 23.819 ( 0.000 0.523 7.230) 7.249 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 0.000 -0.000 42.302) 42.302 3.698 ( 0.000 -0.000 42.302) 42.302 4.696 ( 0.000 -0.000 55.364) 55.364 6.071 ( -0.000 0.000 -16.595) 16.595 6.071 ( -0.000 0.000 -16.595) 16.595 6.745 ( 0.000 -0.000 12.539) 12.539 6.745 ( 0.000 -0.000 12.539) 12.539 7.825 ( -0.000 0.000 -6.032) 6.032 7.825 ( -0.000 0.000 -6.032) 6.032 7.971 ( -0.000 0.000 -28.659) 28.659 8.833 ( 0.000 -0.000 2.288) 2.288 10.015 ( -0.000 0.000 -22.733) 22.733 11.575 ( 0.000 -0.000 20.188) 20.188 12.603 ( -0.000 0.000 -6.087) 6.087 12.728 ( 0.000 -0.000 5.446) 5.446 12.728 ( 0.000 -0.000 5.446) 5.446 13.360 ( -0.000 0.000 -7.354) 7.354 13.360 ( -0.000 0.000 -7.354) 7.354 19.631 ( 0.000 -0.000 21.252) 21.252 19.631 ( 0.000 -0.000 21.252) 21.252 21.129 ( -0.000 0.000 -15.171) 15.171 21.129 ( -0.000 0.000 -15.171) 15.171 23.993 ( 0.000 -0.000 2.161) 2.161 24.197 ( -0.000 0.000 -2.588) 2.588 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -28.691 -16.565 46.155) 56.814 4.350 ( 18.101 10.451 36.239) 41.834 5.200 ( 11.289 6.518 47.566) 49.320 5.939 ( -1.177 -0.680 -13.560) 13.628 5.943 ( -1.093 -0.631 -27.572) 27.601 6.782 ( -2.395 -1.383 11.253) 11.588 6.946 ( 7.019 4.052 19.250) 20.887 7.362 ( -19.680 -11.362 -20.122) 30.353 7.833 ( 2.472 1.427 -7.012) 7.570 8.064 ( 10.261 5.924 -18.338) 21.833 8.826 ( -2.504 -1.446 6.464) 7.081 9.853 ( -1.737 -1.003 -22.319) 22.409 11.602 ( -6.533 -3.772 19.586) 20.989 12.429 ( -9.263 -5.348 -5.751) 12.144 12.886 ( 5.750 3.320 4.527) 8.035 12.893 ( 11.389 6.575 3.690) 13.659 13.253 ( -2.322 -1.341 -7.743) 8.194 13.478 ( 11.394 6.578 -6.175) 14.533 19.635 ( -4.232 -2.443 21.175) 21.732 19.933 ( 7.461 4.308 21.369) 23.041 20.903 ( -6.770 -3.909 -17.637) 19.291 21.120 ( 3.099 1.789 -13.006) 13.490 23.989 ( -1.464 -0.845 1.763) 2.442 24.142 ( -3.006 -1.735 -2.838) 4.484 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -23.912 -13.806 44.035) 51.975 4.923 ( 13.630 7.869 25.996) 30.389 5.613 ( -6.918 -3.994 -9.423) 12.353 5.779 ( 11.928 6.886 13.125) 19.025 5.853 ( 1.327 0.766 -13.853) 13.938 6.716 ( -13.789 -7.961 -3.240) 16.249 6.857 ( -8.712 -5.030 -4.581) 11.053 7.224 ( 4.262 2.461 19.661) 20.268 7.898 ( 8.682 5.013 -6.433) 11.912 8.124 ( 4.888 2.822 -16.718) 17.645 8.833 ( -1.414 -0.816 11.474) 11.590 9.657 ( -3.287 -1.898 -21.260) 21.597 11.603 ( -3.607 -2.083 18.572) 19.033 12.140 ( -12.260 -7.078 -8.471) 16.497 13.043 ( 5.602 3.234 6.542) 9.201 13.117 ( 0.754 0.435 -5.646) 5.712 13.217 ( 8.629 4.982 -0.605) 9.983 13.758 ( 15.339 8.856 -3.138) 17.987 19.710 ( -1.047 -0.605 21.079) 21.113 20.230 ( 7.194 4.153 19.991) 21.648 20.604 ( -9.388 -5.420 -19.314) 22.148 21.101 ( 1.342 0.775 -8.750) 8.886 23.950 ( -2.511 -1.450 0.247) 2.910 24.044 ( -3.546 -2.047 -3.679) 5.505 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -10.778 -6.223 32.615) 34.908 5.107 ( -7.530 -4.347 -5.691) 10.392 5.179 ( -14.457 -8.347 -32.418) 36.464 5.889 ( 9.622 5.555 -5.121) 12.234 6.238 ( 13.001 7.506 24.587) 28.808 6.352 ( -9.211 -5.318 -3.411) 11.169 6.797 ( -3.850 -2.223 10.426) 11.334 7.324 ( -4.338 -2.504 14.588) 15.424 8.071 ( -0.561 -0.324 -14.684) 14.699 8.151 ( 15.003 8.662 -3.585) 17.691 8.928 ( 2.731 1.577 15.008) 15.336 9.441 ( -4.327 -2.498 -19.659) 20.284 11.679 ( 0.164 0.095 16.708) 16.709 11.786 ( -13.517 -7.804 -11.111) 19.159 13.022 ( -3.299 -1.905 -6.058) 7.156 13.227 ( 6.253 3.610 9.380) 11.837 13.442 ( 9.078 5.241 -0.225) 10.485 14.089 ( 14.531 8.389 -0.040) 16.779 19.846 ( 0.895 0.517 19.383) 19.410 20.251 ( -10.606 -6.123 -18.267) 21.993 20.504 ( 6.583 3.800 17.237) 18.839 21.066 ( -1.067 -0.616 -3.485) 3.696 23.885 ( -2.624 -1.515 -2.194) 3.741 23.947 ( -2.566 -1.481 -5.056) 5.860 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 6.387 3.687 14.453) 16.225 4.596 ( -18.354 -10.597 -33.554) 39.687 4.618 ( -21.528 -12.429 -28.291) 37.660 6.124 ( 9.181 5.300 0.786) 10.630 6.262 ( -0.887 -0.512 3.970) 4.100 6.646 ( 11.065 6.388 18.842) 22.765 6.797 ( -2.639 -1.524 13.031) 13.383 7.265 ( -8.016 -4.628 12.975) 15.938 7.925 ( -4.917 -2.839 -10.697) 12.111 8.440 ( 11.919 6.881 -3.772) 14.270 9.151 ( 8.658 4.999 14.416) 17.543 9.220 ( -4.834 -2.791 -17.276) 18.156 11.411 ( -12.936 -7.469 -12.529) 19.496 11.808 ( 2.412 1.393 13.545) 13.828 12.912 ( -3.595 -2.075 -3.368) 5.346 13.433 ( 5.902 3.408 11.463) 13.336 13.607 ( 6.028 3.480 -0.637) 6.990 14.388 ( 11.079 6.396 2.542) 13.043 19.767 ( -11.970 -6.911 -14.497) 20.031 20.132 ( 3.301 1.906 16.278) 16.719 20.738 ( 5.546 3.202 12.829) 14.339 21.007 ( -3.874 -2.237 2.597) 5.173 23.812 ( -1.684 -0.972 -5.187) 5.540 23.869 ( -1.046 -0.604 -6.424) 6.537 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( 0.000 -14.291 42.283) 44.633 4.298 ( 0.000 -7.591 41.895) 42.577 5.518 ( 0.000 12.635 36.386) 38.518 5.671 ( -0.000 -13.169 -30.774) 33.473 5.926 ( -0.000 8.517 -12.837) 15.405 6.929 ( 0.000 2.862 17.090) 17.328 7.016 ( 0.000 4.225 17.627) 18.126 7.320 ( -0.000 -13.180 -23.726) 27.141 7.632 ( -0.000 -5.628 -10.543) 11.951 8.026 ( -0.000 16.237 -16.475) 23.131 8.872 ( 0.000 -2.573 8.649) 9.023 9.717 ( -0.000 -1.185 -21.808) 21.840 11.696 ( 0.000 -11.242 18.295) 21.474 12.393 ( 0.000 -9.048 -5.862) 10.781 12.820 ( 0.000 2.487 3.481) 4.278 13.064 ( -0.000 21.070 5.854) 21.868 13.279 ( -0.000 4.564 -7.142) 8.476 13.347 ( -0.000 5.726 -8.341) 10.118 19.731 ( 0.000 -9.406 21.495) 23.463 20.100 ( 0.000 11.358 21.169) 24.023 20.823 ( -0.000 -4.077 -17.985) 18.442 21.019 ( -0.000 4.156 -15.250) 15.806 23.998 ( 0.000 -2.459 2.000) 3.170 24.115 ( 0.000 -4.913 -2.404) 5.470 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( -28.178 -14.639 44.835) 54.941 4.775 ( 22.958 -8.404 32.723) 40.848 5.299 ( 2.316 -22.729 -32.690) 39.883 5.761 ( 1.737 6.314 -3.509) 7.429 6.002 ( -0.392 12.219 13.568) 18.263 6.879 ( -17.258 -5.892 -20.007) 27.071 6.993 ( -6.892 4.682 15.444) 17.548 7.288 ( 6.613 4.023 18.547) 20.097 7.641 ( 12.831 -4.136 -10.078) 16.832 8.070 ( 0.347 12.932 -17.106) 21.447 8.905 ( -0.351 -2.469 12.148) 12.402 9.553 ( -1.974 -1.223 -20.656) 20.786 11.684 ( -0.300 -11.186 17.322) 20.621 12.198 ( -8.319 -7.151 -8.331) 13.775 12.911 ( 6.159 -0.848 4.174) 7.488 13.171 ( -6.381 4.128 -7.714) 10.829 13.331 ( 1.033 22.450 4.942) 23.010 13.558 ( 15.397 9.268 -5.750) 18.868 19.786 ( 1.579 -8.848 21.487) 23.291 20.356 ( 1.634 9.987 18.879) 21.420 20.598 ( -7.755 -1.990 -18.846) 20.476 21.004 ( 3.656 3.316 -13.254) 14.143 23.966 ( -1.565 -3.592 1.203) 4.099 24.031 ( -1.730 -5.804 -2.219) 6.450 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -23.505 -12.698 40.633) 48.629 4.708 ( -0.802 -31.497 -34.675) 46.852 5.344 ( 8.410 1.518 16.062) 18.194 5.725 ( 1.301 5.339 -16.815) 17.691 6.238 ( 5.900 1.333 16.609) 17.677 6.459 ( -12.288 -2.175 -11.570) 17.018 7.031 ( -7.815 8.514 15.690) 19.486 7.428 ( 0.137 -2.183 7.815) 8.115 7.872 ( 14.673 2.815 -0.316) 14.944 8.072 ( 1.096 9.247 -15.021) 17.673 8.983 ( 1.940 -1.444 15.145) 15.337 9.368 ( -3.658 -1.021 -19.125) 19.499 11.713 ( 2.921 -8.847 15.843) 18.379 11.887 ( -13.629 -4.917 -11.318) 18.386 13.033 ( 1.525 -0.950 0.090) 1.799 13.077 ( 3.055 -1.501 -1.059) 3.565 13.586 ( -0.195 22.084 4.051) 22.454 13.902 ( 16.926 9.558 -2.798) 19.639 19.892 ( 4.293 -7.711 21.099) 22.870 20.256 ( -11.066 -3.625 -19.332) 22.568 20.624 ( 1.668 10.022 15.871) 18.844 21.018 ( 2.914 2.390 -9.182) 9.925 23.895 ( -2.625 -3.759 -0.576) 4.621 23.929 ( -2.044 -4.890 -2.744) 5.968 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -11.109 -6.569 28.116) 30.937 4.112 ( -3.163 -34.683 -36.275) 50.287 5.126 ( -31.017 16.030 -26.392) 43.767 5.956 ( 17.369 -0.722 6.731) 18.642 6.280 ( -1.330 -1.997 1.958) 3.097 6.449 ( 10.687 -10.215 12.692) 19.484 7.101 ( -7.026 12.004 13.386) 19.304 7.420 ( -3.639 -1.585 6.683) 7.773 7.921 ( -4.019 3.675 -10.569) 11.890 8.258 ( 14.090 4.478 -2.064) 14.928 9.129 ( 2.958 -1.538 9.089) 9.681 9.188 ( -1.302 0.924 -10.184) 10.308 11.522 ( -15.478 -2.950 -12.891) 20.358 11.803 ( 5.290 -6.492 13.030) 15.489 12.948 ( -4.488 0.663 -3.945) 6.012 13.221 ( 11.755 -8.046 6.398) 15.616 13.796 ( -2.261 20.310 3.766) 20.779 14.248 ( 14.707 7.703 0.067) 16.602 19.841 ( -14.011 -2.943 -16.199) 21.619 20.099 ( 8.275 -8.186 17.357) 20.899 20.830 ( 1.162 8.371 11.904) 14.599 21.026 ( 0.777 0.943 -3.135) 3.364 23.805 ( -2.780 -2.694 -3.020) 4.910 23.839 ( -1.458 -2.999 -3.842) 5.087 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( 0.000 -13.156 39.271) 41.416 4.580 ( 0.000 -16.878 40.722) 44.081 4.781 ( -0.000 -29.028 -38.677) 48.358 5.796 ( -0.000 9.980 -8.370) 13.025 6.168 ( 0.000 5.636 11.063) 12.416 6.873 ( -0.000 -0.414 -22.562) 22.566 7.291 ( 0.000 1.633 9.956) 10.089 7.334 ( 0.000 4.295 14.740) 15.353 7.392 ( -0.000 1.281 -0.025) 1.281 8.090 ( -0.000 12.795 -16.999) 21.277 8.961 ( 0.000 -3.163 13.905) 14.261 9.436 ( -0.000 -0.244 -19.392) 19.394 11.653 ( 0.000 -14.892 16.036) 21.884 12.154 ( -0.000 -5.835 -8.530) 10.335 12.889 ( 0.000 0.332 3.378) 3.395 13.337 ( -0.000 8.430 -4.750) 9.676 13.372 ( -0.000 8.156 -9.162) 12.266 13.588 ( -0.000 24.298 4.656) 24.740 19.802 ( 0.000 -11.398 21.221) 24.088 20.535 ( -0.000 -0.549 -20.044) 20.051 20.570 ( 0.000 10.494 17.417) 20.334 20.914 ( -0.000 5.036 -14.561) 15.407 23.946 ( 0.000 -4.985 1.585) 5.231 23.970 ( 0.000 -7.225 -0.792) 7.269 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( -25.739 -17.224 38.280) 49.239 4.177 ( -3.665 -30.749 -36.623) 47.961 5.065 ( 29.343 -14.185 33.046) 46.414 5.805 ( -5.871 13.107 -13.027) 19.389 6.267 ( 1.365 0.439 7.835) 7.965 6.590 ( -14.842 1.861 -18.986) 24.171 7.301 ( 8.574 -3.991 -9.431) 13.356 7.344 ( -7.166 6.222 12.457) 15.660 7.724 ( 12.921 4.574 15.468) 20.667 8.087 ( -2.429 11.467 -14.908) 18.965 9.032 ( 1.183 -3.035 15.801) 16.133 9.301 ( -2.411 0.882 -17.990) 18.172 11.634 ( 3.492 -14.397 14.862) 20.984 11.973 ( -8.709 -3.096 -10.967) 14.342 12.944 ( 4.068 -1.687 4.360) 6.197 13.180 ( -10.388 6.230 -6.855) 13.918 13.676 ( 17.782 9.712 -4.849) 20.833 13.840 ( -0.463 22.577 3.357) 22.830 19.852 ( 3.848 -12.078 20.885) 24.431 20.306 ( -10.513 0.664 -20.396) 22.956 20.784 ( 2.513 8.002 12.612) 15.147 20.918 ( 3.507 5.449 -11.993) 13.631 23.890 ( -1.094 -6.397 -0.015) 6.490 23.891 ( -1.663 -5.057 1.198) 5.457 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( -1.499 -27.176 -35.989) 45.122 3.610 ( -22.786 -14.886 35.989) 45.122 5.604 ( -18.706 14.728 -27.438) 36.328 5.604 ( 22.108 -8.836 27.438) 36.328 6.318 ( -4.770 -1.246 -6.279) 7.984 6.318 ( 1.306 -4.754 6.279) 7.984 7.365 ( 7.496 -1.451 -7.155) 10.464 7.365 ( -5.004 5.767 7.155) 10.464 8.046 ( -1.275 8.481 -12.272) 14.972 8.046 ( 7.982 3.137 12.272) 14.972 9.148 ( -3.991 1.875 -16.477) 17.057 9.148 ( 3.619 -2.519 16.477) 17.057 11.684 ( -14.209 -0.029 -12.900) 19.192 11.684 ( 7.079 -12.320 12.900) 19.192 13.038 ( -7.102 3.303 -5.480) 9.559 13.038 ( 6.412 -4.499 5.480) 9.559 14.046 ( 16.814 8.883 -2.734) 19.212 14.046 ( -0.714 19.003 2.734) 19.212 19.966 ( -14.288 0.605 -20.812) 25.252 19.966 ( 7.668 -12.072 20.812) 25.252 20.960 ( 4.118 4.050 -9.801) 11.377 20.960 ( 1.449 5.591 9.801) 11.377 23.815 ( -1.487 -4.169 -0.294) 4.436 23.815 ( -2.867 -3.373 0.294) 4.436 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -0.000 -26.344 -36.611) 45.104 4.491 ( 0.000 -15.094 37.471) 40.396 4.679 ( 0.000 -21.966 34.444) 40.852 5.927 ( -0.000 13.061 -6.006) 14.376 6.292 ( 0.000 -0.421 2.859) 2.890 6.684 ( -0.000 8.752 -21.200) 22.935 7.049 ( -0.000 -5.332 -13.939) 14.924 7.480 ( 0.000 -2.106 0.403) 2.144 7.759 ( 0.000 4.164 18.085) 18.559 8.165 ( -0.000 13.615 -6.981) 15.300 9.091 ( 0.000 -3.853 16.755) 17.192 9.232 ( -0.000 3.229 -16.870) 17.176 11.543 ( 0.000 -15.838 14.095) 21.202 11.956 ( -0.000 -1.364 -11.696) 11.775 12.922 ( 0.000 -1.742 3.837) 4.214 13.416 ( -0.000 8.592 -10.091) 13.253 13.463 ( -0.000 8.662 -2.094) 8.912 14.070 ( -0.000 20.225 1.702) 20.296 19.819 ( 0.000 -13.600 19.426) 23.714 20.299 ( -0.000 2.853 -20.370) 20.568 20.786 ( -0.000 4.625 -9.733) 10.776 20.958 ( 0.000 6.225 5.175) 8.095 23.844 ( 0.000 -5.885 2.026) 6.224 23.871 ( 0.000 -4.734 2.887) 5.544 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.458 ( 0.000 -0.000 37.357) 37.357 4.458 ( 0.000 -0.000 37.357) 37.357 5.661 ( -0.000 0.000 -25.448) 25.448 5.661 ( -0.000 0.000 -25.448) 25.448 5.701 ( 0.000 -0.000 50.007) 50.007 7.046 ( 0.000 -0.000 17.466) 17.466 7.046 ( 0.000 -0.000 17.466) 17.466 7.353 ( -0.000 0.000 -36.258) 36.258 7.650 ( -0.000 0.000 -12.160) 12.160 7.650 ( -0.000 0.000 -12.160) 12.160 8.956 ( 0.000 -0.000 10.472) 10.472 9.592 ( -0.000 0.000 -21.315) 21.315 11.932 ( 0.000 -0.000 17.166) 17.166 12.451 ( -0.000 0.000 -9.921) 9.921 12.858 ( 0.000 -0.000 8.015) 8.015 12.858 ( 0.000 -0.000 8.015) 8.015 13.202 ( -0.000 0.000 -9.037) 9.037 13.202 ( -0.000 0.000 -9.037) 9.037 20.042 ( 0.000 -0.000 21.622) 21.622 20.042 ( 0.000 -0.000 21.622) 21.622 20.811 ( -0.000 0.000 -18.101) 18.101 20.811 ( -0.000 0.000 -18.101) 18.101 24.038 ( 0.000 -0.000 2.600) 2.600 24.145 ( -0.000 0.000 -2.851) 2.851 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( -24.756 -14.293 42.344) 51.090 4.978 ( 12.656 7.307 29.532) 32.950 5.360 ( -5.544 -3.201 -33.061) 33.675 5.576 ( 2.070 1.195 -23.825) 23.944 6.051 ( 3.415 1.972 41.134) 41.323 6.886 ( -15.601 -9.007 -28.836) 34.000 7.064 ( -4.308 -2.487 16.480) 17.214 7.319 ( 8.910 5.144 19.445) 21.999 7.644 ( 4.133 2.386 -12.372) 13.260 7.699 ( 10.044 5.799 -20.102) 23.208 9.017 ( -1.025 -0.592 13.418) 13.470 9.444 ( -1.426 -0.823 -20.118) 20.186 11.945 ( -6.159 -3.556 16.386) 17.863 12.267 ( -9.350 -5.398 -11.101) 15.485 12.990 ( 7.226 4.172 5.737) 10.126 13.008 ( 5.248 3.030 7.946) 9.993 13.098 ( -0.596 -0.344 -7.834) 7.864 13.345 ( 14.042 8.107 -7.590) 17.903 20.047 ( -4.403 -2.542 21.763) 22.349 20.333 ( 6.620 3.822 20.335) 21.724 20.542 ( -7.636 -4.408 -20.103) 21.952 20.836 ( 6.472 3.736 -16.668) 18.267 24.027 ( -2.435 -1.406 2.148) 3.538 24.089 ( -3.121 -1.802 -2.679) 4.491 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( -27.413 -15.827 43.300) 53.636 4.978 ( -8.844 -5.106 -37.587) 38.950 5.176 ( -7.758 -4.479 -12.285) 15.205 5.601 ( 12.483 7.207 1.235) 14.467 6.373 ( 5.587 3.226 29.889) 30.577 6.443 ( -9.080 -5.243 -16.111) 19.222 7.062 ( -4.862 -2.807 15.498) 16.483 7.506 ( -0.171 -0.099 3.000) 3.006 7.764 ( 7.219 4.168 -21.007) 22.600 7.820 ( 14.053 8.113 5.071) 17.001 9.096 ( 0.060 0.035 16.077) 16.077 9.274 ( -2.764 -1.596 -18.664) 18.935 11.926 ( -3.997 -2.308 14.966) 15.661 11.933 ( -12.986 -7.498 -13.077) 19.896 12.991 ( -1.495 -0.863 -6.691) 6.910 13.194 ( 6.702 3.869 9.036) 11.897 13.253 ( 9.374 5.412 3.654) 11.425 13.681 ( 18.401 10.624 -4.751) 21.772 20.107 ( -3.661 -2.114 14.975) 15.560 20.233 ( -7.157 -4.132 -14.223) 16.450 20.590 ( 5.474 3.161 17.349) 18.464 20.886 ( 6.459 3.729 -13.394) 15.330 23.958 ( -4.385 -2.532 0.517) 5.090 23.985 ( -4.396 -2.538 -2.554) 5.683 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.673 ( 0.000 -12.039 37.272) 39.168 5.013 ( 0.000 -2.343 32.709) 32.793 5.025 ( -0.000 -20.475 -36.239) 41.623 5.498 ( -0.000 10.568 -22.128) 24.522 6.278 ( 0.000 -2.551 34.188) 34.283 6.763 ( -0.000 -5.737 -33.431) 33.919 7.299 ( 0.000 6.051 19.305) 20.231 7.352 ( 0.000 4.065 16.142) 16.646 7.383 ( -0.000 -4.432 -13.831) 14.524 7.696 ( -0.000 14.981 -18.089) 23.487 9.103 ( 0.000 -1.751 15.379) 15.478 9.326 ( -0.000 -0.779 -18.774) 18.791 12.015 ( 0.000 -11.181 15.175) 18.849 12.219 ( -0.000 -7.126 -12.110) 14.051 12.929 ( 0.000 -1.020 7.388) 7.458 13.138 ( -0.000 7.275 -7.430) 10.399 13.168 ( -0.000 8.441 -5.536) 10.095 13.204 ( -0.000 16.209 3.966) 16.687 20.143 ( 0.000 -9.593 21.474) 23.519 20.454 ( -0.000 -4.445 -20.548) 21.024 20.489 ( 0.000 9.796 19.421) 21.752 20.701 ( -0.000 6.267 -18.002) 19.061 24.040 ( 0.000 -3.190 2.420) 4.004 24.070 ( 0.000 -3.927 -2.359) 4.581 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.516 ( 0.393 -29.330 -40.937) 50.361 4.516 ( -25.597 -14.325 40.937) 50.361 5.406 ( -7.861 13.232 -25.504) 29.789 5.406 ( 15.390 -0.192 25.504) 29.789 6.439 ( -8.338 -0.441 -24.393) 25.783 6.439 ( 3.786 -7.441 24.393) 25.783 7.318 ( 9.384 -5.826 -15.427) 18.974 7.318 ( -9.737 5.214 15.427) 18.974 7.721 ( -0.066 14.377 -18.514) 23.440 7.721 ( 12.483 7.132 18.514) 23.440 9.188 ( -1.891 -0.764 -17.337) 17.457 9.188 ( 0.284 -2.020 17.337) 17.457 11.983 ( -9.692 -6.064 -13.852) 17.961 11.983 ( -0.405 -11.425 13.852) 17.961 13.025 ( -5.837 4.537 -7.287) 10.380 13.025 ( 6.847 -2.786 7.287) 10.380 13.441 ( 17.864 10.629 -6.283) 21.716 13.441 ( 0.273 20.785 6.283) 21.716 20.197 ( -8.732 -3.115 -21.303) 23.233 20.197 ( 1.669 -9.119 21.303) 23.233 20.716 ( 6.659 5.639 -16.865) 18.988 20.716 ( 1.554 8.586 16.865) 18.988 23.993 ( -2.332 -4.583 -1.706) 5.418 23.993 ( -2.803 -4.311 1.706) 5.418 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.116 ( -0.000 0.000 -31.726) 31.726 5.116 ( -0.000 0.000 -31.726) 31.726 5.116 ( 0.000 -0.000 31.726) 31.726 5.116 ( 0.000 -0.000 31.726) 31.726 6.593 ( -0.000 0.000 -43.537) 43.537 6.593 ( 0.000 -0.000 43.537) 43.537 7.374 ( -0.000 0.000 -16.385) 16.385 7.374 ( -0.000 0.000 -16.385) 16.385 7.374 ( 0.000 -0.000 16.385) 16.385 7.374 ( 0.000 -0.000 16.385) 16.385 9.222 ( -0.000 0.000 -17.086) 17.086 9.222 ( 0.000 -0.000 17.086) 17.086 12.226 ( -0.000 0.000 -13.691) 13.691 12.226 ( 0.000 -0.000 13.691) 13.691 13.025 ( -0.000 0.000 -9.325) 9.325 13.025 ( -0.000 0.000 -9.325) 9.325 13.025 ( 0.000 -0.000 9.325) 9.325 13.025 ( 0.000 -0.000 9.325) 9.325 20.444 ( -0.000 0.000 -20.384) 20.384 20.444 ( -0.000 0.000 -20.384) 20.384 20.444 ( 0.000 -0.000 20.384) 20.384 20.444 ( 0.000 -0.000 20.384) 20.384 24.090 ( -0.000 0.000 -2.851) 2.851 24.090 ( 0.000 -0.000 2.851) 2.851 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 1603.475 1603.475 2338.536 0.000 -0.000 -0.000 3/41472 20.0 1613.747 1613.747 2658.311 0.000 -0.000 -0.000 3/41472 30.0 1108.689 1108.689 1886.319 0.000 -0.000 -0.000 3/41472 40.0 757.128 757.128 1241.291 0.000 -0.000 -0.000 3/41472 50.0 543.000 543.000 852.222 0.000 -0.000 -0.000 3/41472 60.0 410.686 410.686 624.044 0.000 -0.000 -0.000 3/41472 70.0 323.595 323.595 480.812 0.000 -0.000 -0.000 3/41472 80.0 262.665 262.665 384.229 0.000 -0.000 -0.000 3/41472 90.0 218.209 218.209 315.664 0.000 -0.000 -0.000 3/41472 100.0 184.816 184.816 265.195 0.000 -0.000 -0.000 3/41472 110.0 159.148 159.148 226.989 0.000 -0.000 -0.000 3/41472 120.0 139.015 139.015 197.372 0.000 -0.000 -0.000 3/41472 130.0 122.933 122.933 173.933 0.000 -0.000 -0.000 3/41472 140.0 109.873 109.873 155.040 0.000 -0.000 -0.000 3/41472 150.0 99.107 99.107 139.562 0.000 -0.000 -0.000 3/41472 160.0 90.115 90.115 126.698 0.000 -0.000 -0.000 3/41472 170.0 82.513 82.513 115.870 0.000 -0.000 -0.000 3/41472 180.0 76.019 76.019 106.652 0.000 -0.000 -0.000 3/41472 190.0 70.418 70.418 98.726 0.000 -0.000 -0.000 3/41472 200.0 65.548 65.548 91.850 0.000 -0.000 -0.000 3/41472 210.0 61.279 61.279 85.837 0.000 -0.000 -0.000 3/41472 220.0 57.513 57.513 80.541 0.000 -0.000 -0.000 3/41472 230.0 54.168 54.168 75.845 0.000 -0.000 -0.000 3/41472 240.0 51.182 51.182 71.657 0.000 -0.000 -0.000 3/41472 250.0 48.501 48.501 67.901 0.000 -0.000 -0.000 3/41472 260.0 46.083 46.083 64.516 0.000 -0.000 -0.000 3/41472 270.0 43.892 43.892 61.451 0.000 -0.000 -0.000 3/41472 280.0 41.898 41.898 58.664 0.000 -0.000 -0.000 3/41472 290.0 40.078 40.078 56.120 0.000 -0.000 -0.000 3/41472 300.0 38.409 38.409 53.788 0.000 -0.000 -0.000 3/41472 310.0 36.875 36.875 51.645 0.000 -0.000 -0.000 3/41472 320.0 35.459 35.459 49.668 0.000 -0.000 -0.000 3/41472 330.0 34.149 34.149 47.839 0.000 -0.000 -0.000 3/41472 340.0 32.934 32.934 46.143 0.000 -0.000 -0.000 3/41472 350.0 31.804 31.804 44.565 0.000 -0.000 -0.000 3/41472 360.0 30.750 30.750 43.094 0.000 -0.000 -0.000 3/41472 370.0 29.765 29.765 41.718 0.000 -0.000 -0.000 3/41472 380.0 28.842 28.842 40.430 0.000 -0.000 -0.000 3/41472 390.0 27.976 27.976 39.222 0.000 -0.000 -0.000 3/41472 400.0 27.162 27.162 38.085 0.000 -0.000 -0.000 3/41472 410.0 26.395 26.395 37.014 0.000 -0.000 -0.000 3/41472 420.0 25.672 25.672 36.003 0.000 -0.000 -0.000 3/41472 430.0 24.988 24.988 35.048 0.000 -0.000 -0.000 3/41472 440.0 24.340 24.340 34.143 0.000 -0.000 -0.000 3/41472 450.0 23.726 23.726 33.285 0.000 -0.000 -0.000 3/41472 460.0 23.144 23.144 32.471 0.000 -0.000 -0.000 3/41472 470.0 22.589 22.589 31.696 0.000 -0.000 -0.000 3/41472 480.0 22.062 22.062 30.959 0.000 -0.000 -0.000 3/41472 490.0 21.559 21.559 30.256 0.000 -0.000 -0.000 3/41472 500.0 21.080 21.080 29.586 0.000 -0.000 -0.000 3/41472 510.0 20.622 20.622 28.945 0.000 -0.000 -0.000 3/41472 520.0 20.183 20.183 28.332 0.000 -0.000 -0.000 3/41472 530.0 19.764 19.764 27.746 0.000 -0.000 -0.000 3/41472 540.0 19.362 19.362 27.184 0.000 -0.000 -0.000 3/41472 550.0 18.977 18.977 26.645 0.000 -0.000 -0.000 3/41472 560.0 18.607 18.607 26.127 0.000 -0.000 -0.000 3/41472 570.0 18.252 18.252 25.630 0.000 -0.000 -0.000 3/41472 580.0 17.910 17.910 25.151 0.000 -0.000 -0.000 3/41472 590.0 17.581 17.581 24.691 0.000 -0.000 -0.000 3/41472 600.0 17.265 17.265 24.248 0.000 -0.000 -0.000 3/41472 610.0 16.960 16.960 23.821 0.000 -0.000 -0.000 3/41472 620.0 16.666 16.666 23.409 0.000 -0.000 -0.000 3/41472 630.0 16.382 16.382 23.011 0.000 -0.000 -0.000 3/41472 640.0 16.108 16.108 22.627 0.000 -0.000 -0.000 3/41472 650.0 15.843 15.843 22.256 0.000 -0.000 -0.000 3/41472 660.0 15.587 15.587 21.898 0.000 -0.000 -0.000 3/41472 670.0 15.339 15.339 21.551 0.000 -0.000 -0.000 3/41472 680.0 15.099 15.099 21.215 0.000 -0.000 -0.000 3/41472 690.0 14.867 14.867 20.889 0.000 -0.000 -0.000 3/41472 700.0 14.642 14.642 20.574 0.000 -0.000 -0.000 3/41472 710.0 14.424 14.424 20.268 0.000 -0.000 -0.000 3/41472 720.0 14.212 14.212 19.971 0.000 -0.000 -0.000 3/41472 730.0 14.007 14.007 19.683 0.000 -0.000 -0.000 3/41472 740.0 13.808 13.808 19.404 0.000 -0.000 -0.000 3/41472 750.0 13.614 13.614 19.132 0.000 -0.000 -0.000 3/41472 760.0 13.426 13.426 18.869 0.000 -0.000 -0.000 3/41472 770.0 13.243 13.243 18.612 0.000 -0.000 -0.000 3/41472 780.0 13.065 13.065 18.362 0.000 -0.000 -0.000 3/41472 790.0 12.892 12.892 18.120 0.000 -0.000 -0.000 3/41472 800.0 12.723 12.723 17.883 0.000 -0.000 -0.000 3/41472 810.0 12.559 12.559 17.653 0.000 -0.000 -0.000 3/41472 820.0 12.400 12.400 17.429 0.000 -0.000 -0.000 3/41472 830.0 12.244 12.244 17.211 0.000 -0.000 -0.000 3/41472 840.0 12.092 12.092 16.998 0.000 -0.000 -0.000 3/41472 850.0 11.944 11.944 16.790 0.000 -0.000 -0.000 3/41472 860.0 11.800 11.800 16.588 0.000 -0.000 -0.000 3/41472 870.0 11.659 11.659 16.390 0.000 -0.000 -0.000 3/41472 880.0 11.522 11.522 16.197 0.000 -0.000 -0.000 3/41472 890.0 11.387 11.387 16.009 0.000 -0.000 -0.000 3/41472 900.0 11.256 11.256 15.825 0.000 -0.000 -0.000 3/41472 910.0 11.128 11.128 15.645 0.000 -0.000 -0.000 3/41472 920.0 11.003 11.003 15.470 0.000 -0.000 -0.000 3/41472 930.0 10.881 10.881 15.298 0.000 -0.000 -0.000 3/41472 940.0 10.762 10.762 15.130 0.000 -0.000 -0.000 3/41472 950.0 10.645 10.645 14.966 0.000 -0.000 -0.000 3/41472 960.0 10.530 10.530 14.806 0.000 -0.000 -0.000 3/41472 970.0 10.419 10.419 14.649 0.000 -0.000 -0.000 3/41472 980.0 10.309 10.309 14.495 0.000 -0.000 -0.000 3/41472 990.0 10.202 10.202 14.345 0.000 -0.000 -0.000 3/41472 1000.0 10.097 10.097 14.197 0.000 -0.000 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:12:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|